From owner-chemistry@ccl.net Fri Jul 7 14:54:00 2023 From: "Mark Nicholas Jones contact{=}mqs.dk" To: CCL Subject: CCL: New MQS Dashboard online with QMugs and PubchemQC PM6 database access Message-Id: <-54954-230707025130-573-bxN0iylOVhLV9wH9tWVGfg||server.ccl.net> X-Original-From: "Mark Nicholas Jones" Date: Fri, 7 Jul 2023 02:51:29 -0400 Sent to CCL by: "Mark Nicholas Jones" [contact|-|mqs.dk] The new version of the MQS Dashboard is online! https://blog.mqs.dk/posts/new_dashboard_release/ - Search simultaneously through the QMugs and PubchemQC PM6 data sets. - QMugs holds 685.917 molecular structures (https://www.nature.com/articles/s41597-022-01390-7). - PubchemQC PM6 holds 221.190.415 molecular structures (https://pubs.acs.org/doi/10.1021/acs.jcim.0c00740). - All structures are geometry optimized and suitable for your quantum chemistry calculation pipelines. - Experience a great workflow by refining your search queries with the dashboard search field. As with many other search engines one can make use of operators (AND, OR, NOT), wildcards (*, #, ?, %) and quotation marks ("") to refine your search query. - Utilize the Search API to screen efficiently through the database for specific chemical classes with your refined search queries (Tutorial: https://blog.mqs.dk/posts/getting_started_search_api_part1/). From owner-chemistry@ccl.net Fri Jul 7 18:49:01 2023 From: "Bennion, Brian bennion1]_[llnl.gov" To: CCL Subject: CCL: New MQS Dashboard online with QMugs and PubchemQC PM6 database access Message-Id: <-54955-230707184754-8547-PGuDrmIjQmDU7oSNQMmdRQ##server.ccl.net> X-Original-From: "Bennion, Brian" Content-Language: en-US Content-Type: multipart/alternative; boundary="_000_BY3PR09MB81314771E10498F9BDBF9485F62DABY3PR09MB8131namp_" Date: Fri, 7 Jul 2023 22:47:41 +0000 MIME-Version: 1.0 Sent to CCL by: "Bennion, Brian" [bennion1(_)llnl.gov] --_000_BY3PR09MB81314771E10498F9BDBF9485F62DABY3PR09MB8131namp_ Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable hello, As I don't live in the EU, your terms forbid me from using the dashboard be= cause data that I search for will be displayed in the US. Is this a correc= t interpretation of the terms and conditions? Brian ________________________________ > From: owner-chemistry+bennion1=3D=3Dllnl.gov]_[ccl.net on behalf of Mark Nicholas Jones contact{=3D}mqs= .dk Sent: Thursday, July 6, 2023 11:51 PM To: Bennion, Brian Subject: CCL: New MQS Dashboard online with QMugs and PubchemQC PM6 databas= e access Sent to CCL by: "Mark Nicholas Jones" [contact|-|mqs.dk] The new version of the MQS Dashboard is online! https://urldefense.us/v3/__https://blog.mqs.dk/posts/new_dashboard_release/= __;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3V4jn= RjBZloLbw0d8i8yNoajPYnvFsYW5XIpzctW5Q$ - Search simultaneously through the QMugs and PubchemQC PM6 data sets. - QMugs holds 685.917 molecular structures (https://urldefense.us/v3/__http= s://www.nature.com/articles/s41597-022-01390-7__;!!G2kpM7uM-TzIFchu!0HHA_AY= X71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5X= KxFblqlw$ ). - PubchemQC PM6 holds 221.190.415 molecular structures (https://urldefense.= us/v3/__https://pubs.acs.org/doi/10.1021/acs.jcim.0c00740__;!!G2kpM7uM-TzIF= chu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3V4jnRjBZloLbw0d8i8yNoa= jPYnvFsYW5XLj3LM0Bg$ ). - All structures are geometry optimized and suitable for your quantum chemi= stry calculation pipelines. - Experience a great workflow by refining your search queries with the dash= board search field. As with many other search engines one can make use of o= perators (AND, OR, NOT), wildcards (*, #, ?, %) and quotation marks ("") to= refine your search query. - Utilize the Search API to screen efficiently through the database for spe= cific chemical classes with your refined search queries (Tutorial: https://= urldefense.us/v3/__https://blog.mqs.dk/posts/getting_started_search_api_par= t1/__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3V= 4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XL2QuaoqA$ ). -=3D This is automatically added to each message by the mailing script =3D-https://urldefense.us/v3/__http://www.ccl.net/cgi-bin/ccl/send_ccl_me= ssage__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip= 3V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XL6nKTdmw$https://urldefense.us/v3/__http://www.ccl.net/cgi-bin/ccl/send_ccl_me= ssage__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip= 3V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XL6nKTdmw$https://urldefense.us/v3/__http://www.ccl.net/chemistry/sub_unsub.sht= ml__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3V4= jnRjBZloLbw0d8i8yNoajPYnvFsYW5XIHcqMIrQ$ Before posting, check wait time at: https://urldefense.us/v3/__http://www.c= cl.net__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKi= p3V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XJwUeYCRA$ Job: https://urldefense.us/v3/__http://www.ccl.net/jobs__;!!G2kpM7uM-TzIFch= u!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3V4jnRjBZloLbw0d8i8yNoajP= YnvFsYW5XL6jPKPxA$ Conferences: https://urldefense.us/v3/__http://server.ccl.net/chemistry/ann= ouncements/conferences/__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0= dkjhLsZZUSj_1oyKip3V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XIMt-aJMw$ Search Messages: https://urldefense.us/v3/__http://www.ccl.net/chemistry/se= archccl/index.shtml__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjh= LsZZUSj_1oyKip3V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XK4khN2ew$https://urldefense.us/v3/__http://www.ccl.net/spammers.txt__;!!G2kpM7= uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3V4jnRjBZloLbw0d= 8i8yNoajPYnvFsYW5XIEVvQuiA$ RTFI: https://urldefense.us/v3/__http://www.ccl.net/chemistry/aboutccl/inst= ructions/__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1o= yKip3V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XITqhCOQQ$ --_000_BY3PR09MB81314771E10498F9BDBF9485F62DABY3PR09MB8131namp_ Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable
hello,

As I don't live in the EU, your terms forbid me from using the dashboard be= cause data that I search for will be displayed in the US.  Is this a c= orrect interpretation of the terms and conditions?
Brian

From: owner-chemistry+= bennion1=3D=3Dllnl.gov]_[ccl.net <owner-chemistry+bennion1=3D=3Dllnl.gov]_[c= cl.net> on behalf of Mark Nicholas Jones contact{=3D}mqs.dk <owner-chemistry]_[ccl.net>
Sent: Thursday, July 6, 2023 11:51 PM
To: Bennion, Brian <bennion1]_[llnl.gov>
Subject: CCL: New MQS Dashboard online with QMugs and PubchemQC PM6 = database access
 

Sent to CCL by: "Mark Nicholas Jones" [contact|-|mqs.dk]
The new version of the MQS Dashboard is online!

https://urldefense.us/v3/__https://blog.mqs.dk/posts/new_dashboard_rele= ase/__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3= V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XIpzctW5Q$

- Search simultaneously through the QMugs and PubchemQC PM6 data sets.

- QMugs holds 685.917 molecular structures (https://urldefense.us/v3/__http= s://www.nature.com/articles/s41597-022-01390-7__;!!G2kpM7uM-TzIFchu!0HHA_AY= X71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5X= KxFblqlw$ ).

- PubchemQC PM6 holds 221.190.415 molecular structures (https://urldefense.= us/v3/__https://pubs.acs.org/doi/10.1021/acs.jcim.0c00740__;!!G2kpM7uM-TzIF= chu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3V4jnRjBZloLbw0d8i8yNoa= jPYnvFsYW5XLj3LM0Bg$ ).

- All structures are geometry optimized and suitable for your quantum chemi= stry calculation pipelines.

- Experience a great workflow by refining your search queries with the dash= board search field. As with many other search engines one can make use of o= perators (AND, OR, NOT), wildcards (*, #, ?, %) and quotation marks ("= ") to refine your search query.

- Utilize the Search API to screen efficiently through the database for spe= cific chemical classes with your refined search queries (Tutorial: https://urldefense.us/v3/__https://blog.mqs.dk/posts/getting_started_search= _api_part1/__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_= 1oyKip3V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XL2QuaoqA$ ).



-=3D This is automatically added to each message by the mailing script =3D-=       https://urldefense.us/v3/__http://www.ccl.net/cgi-bin/ccl/send_ccl_message_= _;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3V4jnR= jBZloLbw0d8i8yNoajPYnvFsYW5XL6nKTdmw$
      https://urldefense.us/v3/__http://www.ccl.net/cgi-bin/ccl/send_ccl_message_= _;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3V4jnR= jBZloLbw0d8i8yNoajPYnvFsYW5XL6nKTdmw$
      https://urldefense.us/v3/__http://www.ccl.net/chemistry/sub_unsub.shtml__;!= !G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3V4jnRjBZ= loLbw0d8i8yNoajPYnvFsYW5XIHcqMIrQ$

Before posting, check wait time at: https://urldefense.us/v3/__http://www.ccl.net__;!!G2kpM7uM-TzIFchu!0HHA_AYX= 71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XJ= wUeYCRA$

Job: https://urldefense.us/v3/__http://www.ccl.net/jobs__;!!G2kpM7uM-TzIFchu!0HH= A_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3V4jnRjBZloLbw0d8i8yNoajPYnvFs= YW5XL6jPKPxA$ 
Conferences: https://urldefense.us/v3/__http://server.ccl.net/chemistry/announcements/co= nferences/__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1= oyKip3V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XIMt-aJMw$

Search Messages: https://urldefense.us/v3/__http://www.ccl.net/chemistry/searchccl/index.sht= ml__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3V4= jnRjBZloLbw0d8i8yNoajPYnvFsYW5XK4khN2ew$
      https://urldefense.us/v3/__http://www.ccl.net/spammers.txt__;!!G2kpM7uM-TzI= Fchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3V4jnRjBZloLbw0d8i8yNo= ajPYnvFsYW5XIEVvQuiA$

RTFI: https://urldefense.us/v3/__http://www.ccl.net/chemistry/aboutccl/instructio= ns/__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3V= 4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XITqhCOQQ$


--_000_BY3PR09MB81314771E10498F9BDBF9485F62DABY3PR09MB8131namp_-- From owner-chemistry@ccl.net Fri Jul 7 20:13:01 2023 From: "Mark Jones mark||mqs.dk" To: CCL Subject: CCL: =?US-ASCII?Q?Re=3A_CCL=3A_New_MQS_Dashboard_online_with_?= =?US-ASCII?Q?QMugs_and_PubchemQC_PM6_database_access?= Message-Id: <-54956-230707200344-8597-x5G2JeSANyMzMP7UZ/GzFA:_:server.ccl.net> X-Original-From: Mark Jones Content-Transfer-Encoding: 7bit Content-Type: multipart/alternative; boundary=----11E7VEVP6OQ73NN8Z8CA36SBEYG4R8 Date: Sat, 08 Jul 2023 02:03:26 +0200 MIME-Version: 1.0 Sent to CCL by: Mark Jones [mark!A!mqs.dk] ------11E7VEVP6OQ73NN8Z8CA36SBEYG4R8 Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: quoted-printable Hi Brian, The data you search for is independent from the terms and conditions=2E It's the personal user data which is being protected with the terms and co= nditions=2E We have the terms and conditions in place due to EU laws which are protect= ive when it comes to personal data=2E We do not collect or analyze any data of users and if so in the future the= n only depersonalized to improve the UX/UI design (with https://hotjar=2Eco= m) of the dashboard and to analyze for example which compounds are the most= searched ones=2E I hope this gave some clarification=2E Would be great to get some feedback= from you and the CCL community on the current version of the dashboard=2E Best, mark Den 8=2E juli 2023 00=2E47=2E41 CEST, "Bennion, Brian bennion1]_[llnl=2Ego= v" skrev: >hello, > >As I don't live in the EU, your terms forbid me from using the dashboard = because data that I search for will be displayed in the US=2E Is this a co= rrect interpretation of the terms and conditions? >Brian > >________________________________ >> From: owner-chemistry+bennion1=3D=3Dllnl=2Egov,,ccl=2Enet on behalf of Mark Nicholas Jones c= ontact{=3D}mqs=2Edk >Sent: Thursday, July 6, 2023 11:51 PM >To: Bennion, Brian >Subject: CCL: New MQS Dashboard online with QMugs and PubchemQC PM6 datab= ase access > > >Sent to CCL by: "Mark Nicholas Jones" [contact|-|mqs=2Edk] >The new version of the MQS Dashboard is online! > >https://urldefense=2Eus/v3/__https://blog=2Emqs=2Edk/posts/new_dashboard_= release/__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oy= Kip3V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XIpzctW5Q$ > >- Search simultaneously through the QMugs and PubchemQC PM6 data sets=2E > >- QMugs holds 685=2E917 molecular structures (https://urldefense=2Eus/v3/= __https://www=2Enature=2Ecom/articles/s41597-022-01390-7__;!!G2kpM7uM-TzIFc= hu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3V4jnRjBZloLbw0d8i8yNoaj= PYnvFsYW5XKxFblqlw$ )=2E > >- PubchemQC PM6 holds 221=2E190=2E415 molecular structures (https://urlde= fense=2Eus/v3/__https://pubs=2Eacs=2Eorg/doi/10=2E1021/acs=2Ejcim=2E0c00740= __;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3V4jn= RjBZloLbw0d8i8yNoajPYnvFsYW5XLj3LM0Bg$ )=2E > >- All structures are geometry optimized and suitable for your quantum che= mistry calculation pipelines=2E > >- Experience a great workflow by refining your search queries with the da= shboard search field=2E As with many other search engines one can make use = of operators (AND, OR, NOT), wildcards (*, #, ?, %) and quotation marks (""= ) to refine your search query=2E > >- Utilize the Search API to screen efficiently through the database for s= pecific chemical classes with your refined search queries (Tutorial: https:= //urldefense=2Eus/v3/__https://blog=2Emqs=2Edk/posts/getting_started_search= _api_part1/__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_= 1oyKip3V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XL2QuaoqA$ )=2E > > > >-=3D This is automatically added to each message by the mailing script = =3D-https://urldefense=2Eus/v3/__http://www=2Eccl=2Enet/cgi-bin/ccl/send_cc= l_message__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1o= yKip3V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XL6nKTdmw$https://urldefense=2Eus/v3/_= _http://www=2Eccl=2Enet/cgi-bin/ccl/send_ccl_message__;!!G2kpM7uM-TzIFchu!0= HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3V4jnRjBZloLbw0d8i8yNoajPYnv= FsYW5XL6nKTdmw$https://urldefense=2Eus/v3/__http://www=2Eccl=2Enet/chemistr= y/sub_unsub=2Eshtml__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjh= LsZZUSj_1oyKip3V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XIHcqMIrQ$ > >Before posting, check wait time at: https://urldefense=2Eus/v3/__http://w= ww=2Eccl=2Enet__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZU= Sj_1oyKip3V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XJwUeYCRA$ > >Job: https://urldefense=2Eus/v3/__http://www=2Eccl=2Enet/jobs__;!!G2kpM7u= M-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3V4jnRjBZloLbw0d8= i8yNoajPYnvFsYW5XL6jPKPxA$ >Conferences: https://urldefense=2Eus/v3/__http://server=2Eccl=2Enet/chemi= stry/announcements/conferences/__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX= 9p8gcVR0dkjhLsZZUSj_1oyKip3V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XIMt-aJMw$ > >Search Messages: https://urldefense=2Eus/v3/__http://www=2Eccl=2Enet/chem= istry/searchccl/index=2Eshtml__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p= 8gcVR0dkjhLsZZUSj_1oyKip3V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XK4khN2ew$https://= urldefense=2Eus/v3/__http://www=2Eccl=2Enet/spammers=2Etxt__;!!G2kpM7uM-TzI= Fchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3V4jnRjBZloLbw0d8i8yNo= ajPYnvFsYW5XIEVvQuiA$ > >RTFI: https://urldefense=2Eus/v3/__http://www=2Eccl=2Enet/chemistry/about= ccl/instructions/__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLs= ZZUSj_1oyKip3V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XITqhCOQQ$ > > ------11E7VEVP6OQ73NN8Z8CA36SBEYG4R8 Content-Type: text/html; charset=utf-8 Content-Transfer-Encoding: quoted-printable
Hi Brian,
The data you search for i= s independent from the terms and conditions=2E
It's the personal user da= ta which is being protected with the terms and conditions=2E
We have the= terms and conditions in place due to EU laws which are protective when it = comes to personal data=2E
We do not collect or analyze any data of users= and if so in the future then only depersonalized to improve the UX/UI desi= gn (with https://hotjar=2Ecom) of the = dashboard and to analyze for example which compounds are the most searched = ones=2E
I hope this gave some clarification=2E Would be great to get som= e feedback from you and the CCL community on the current version of the das= hboard=2E
Best,
mark


Den 8=2E juli 2023 00=2E47=2E41 CEST, "Bennion, Brian bennion1]_[= llnl=2Egov" <owner-chemistry|a|ccl=2Enet> skrev:
hello,

As I don't live in the EU, your terms forbid me from using the dashboard b= ecause data that I search for will be displayed in the US=2E  Is this = a correct interpretation of the terms and conditions?
Brian

From: owner-chemistry= +bennion1=3D=3Dllnl=2Egov,,ccl=2Enet <owner-chemistry+bennion1=3D=3Dllnl= =2Egov,,ccl=2Enet> on behalf of Mark Nicholas Jones contact{=3D}mqs=2Edk <owner-chemistry,,ccl=2Enet>
Sent: Thursday, July 6, 2023 11:51 PM
To: Bennion, Brian <bennion1,,llnl=2Egov>
Subject: CCL: New MQS Dashboard online with QMugs and PubchemQC PM6= database access
 

Sent to CCL by: "Mark Nicholas Jones" [contact|-|mqs=2Edk]
The new version of the MQS Dashboard is online!

https://urldefense=2Eus/v3/__https://blog=2Emqs=2Edk/posts/new_d= ashboard_release/__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLs= ZZUSj_1oyKip3V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XIpzctW5Q$

- Search simultaneously through the QMugs and PubchemQC PM6 data sets=2E
- QMugs holds 685=2E917 molecular structures (https://urldefense=2Eus/v3/_= _https://www=2Enature=2Ecom/articles/s41597-022-01390-7__;!!G2kpM7uM-TzIFch= u!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3V4jnRjBZloLbw0d8i8yNoajP= YnvFsYW5XKxFblqlw$ )=2E

- PubchemQC PM6 holds 221=2E190=2E415 molecular structures (https://urldef= ense=2Eus/v3/__https://pubs=2Eacs=2Eorg/doi/10=2E1021/acs=2Ejcim=2E0c00740_= _;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3V4jnR= jBZloLbw0d8i8yNoajPYnvFsYW5XLj3LM0Bg$ )=2E

- All structures are geometry optimized and suitable for your quantum chem= istry calculation pipelines=2E

- Experience a great workflow by refining your search queries with the das= hboard search field=2E As with many other search engines one can make use o= f operators (AND, OR, NOT), wildcards (*, #, ?, %) and quotation marks ("")= to refine your search query=2E

- Utilize the Search API to screen efficiently through the database for sp= ecific chemical classes with your refined search queries (Tutorial: https://urldefense=2Eus/v3/__https://blog=2Emqs=2Edk/posts/getting_started= _search_api_part1/__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhL= sZZUSj_1oyKip3V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XL2QuaoqA$ )=2E



-=3D This is automatically added to each message by the mailing script =3D= -




      https://urldefense=2Eus/v3/__http://www=2Eccl=2Enet/cgi-bin/ccl/send_ccl_m= essage__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKi= p3V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XL6nKTdmw$


      https://urldefense=2Eus/v3/__http://www=2Eccl=2Enet/cgi-bin/ccl/send_ccl_m= essage__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKi= p3V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XL6nKTdmw$


      https://urldefense=2Eus/v3/__http://www=2Eccl=2Enet/chemistry/sub_unsub=2E= shtml__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip= 3V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XIHcqMIrQ$

Before posting, check wait time at: https://urldefense=2Eus/v3/__http://www=2Eccl=2Enet__;!!G2kpM7uM-TzIFchu!0= HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3V4jnRjBZloLbw0d8i8yNoajPYnv= FsYW5XJwUeYCRA$

Job: https://urldefense=2Eus/v3/__http://www=2Eccl=2Enet/jobs__;!!G2kpM7uM-TzIF= chu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3V4jnRjBZloLbw0d8i8yNoa= jPYnvFsYW5XL6jPKPxA$ 
Conferences: https://urldefense=2Eus/v3/__http://server=2Eccl=2Enet/chemistry/announcem= ents/conferences/__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLs= ZZUSj_1oyKip3V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XIMt-aJMw$

Search Messages: https://urldefense=2Eus/v3/__http://www=2Eccl=2Enet/chemistry/searchccl/in= dex=2Eshtml__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_= 1oyKip3V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XK4khN2ew$


      https://urldefense=2Eus/v3/__http://www=2Eccl=2Enet/spammers=2Etxt__;!!G2k= pM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1oyKip3V4jnRjBZloLb= w0d8i8yNoajPYnvFsYW5XIEVvQuiA$

RTFI: https://urldefense=2Eus/v3/__http://www=2Eccl=2Enet/chemistry/aboutccl/ins= tructions/__;!!G2kpM7uM-TzIFchu!0HHA_AYX71jSHa1nETqGaX9p8gcVR0dkjhLsZZUSj_1= oyKip3V4jnRjBZloLbw0d8i8yNoajPYnvFsYW5XITqhCOQQ$


------11E7VEVP6OQ73NN8Z8CA36SBEYG4R8--