MolSoft LLC

Drug discovery, Computational Chemistry, Biology, Bioinformatics

[MolSoft LLC @MolSoft]

MolSoft LLC & XtalPi Inc. Partner to Integrate CombiRIDGE™ with the VAST™ Chemical Universe

We are excited to announce a strategic partnership between MolSoft LLC and XtalPi, an end-to-end workflow that bridges ultra-large-scale 3D VS https://t.co/LHy8jLDhfb

[MolSoft LLC @MolSoft]

https://t.co/QZgc3G9Jev

[MolSoft LLC @MolSoft]

Please share - Latest publication from @MolSoft describing novel cutting-edge algorithm called GINGER, which efficiently generates high quality chemical conformers at lightning-fast speeds.
#compchem #machinelearning #drugdisovery
https://t.co/IbzQN4FmzP

[MolSoft LLC @MolSoft]

Exciting collaboration between MolSoft and Liverpool Chiro Chem. #compchem #drugdiscovery #gpu #Chemistry #drugdevelopment
https://t.co/1kQLs3wyIf

[MolSoft LLC @MolSoft]

Introducing GINGER from MolSoft: a cutting-edge software designed for lightning-fast high quality conformer chemical library generation on GPUs. Read more... https://t.co/jvSQIT5DwB
#computationalchemistry #neuralnetworks #compchem #drugdiscovery #drugdesign #GPU #nvidia

[MolSoft LLC @MolSoft]

If you missed MolSoft’s “Advances in Physics and AI Methods for Drug Discovery” meeting see https://t.co/vVv0xg2BOH . A huge thank you to all the exceptional speakers who shared their insights and to everyone who attended.
#drugdiscovery #drugdesign #compchem #AI #ML #gpu

[MolSoft LLC @MolSoft]

Part Two of our online meeting is underway Advances in Physics and AI Methods for Drug Discovery - MolSoft ICM UGM 2023. https://t.co/H23cSwbmV4 and see the schedule here https://t.co/6O4S55yTTQ #drugdiscovery #drugdesign #compchem #AI #ML #gpucomputing #computationalchemistry

[MolSoft LLC @MolSoft]

Day Two of this free online event will be starting soon. Advances in Physics and AI Methods for Drug Discovery - MolSoft ICM UGM 2023. Thttps://us06web.zoom.us/webinar/register/WN_iLQ-iFX5QSubkSCdDWcq6Q#/registration https://t.co/SD3DX7fd2P

[MolSoft LLC @MolSoft]

Live now! Please join us for the second half of today's free online zoom meeting "Advances in Physics and AI Methods in Drug Discovery". Talks coming up on Ultra Large Library Screening, RNA modeling and drug discovery, PROTAC Modeling https://t.co/GwYq56m3Sq

[MolSoft LLC @MolSoft]

Join us for an exciting free online event: Advances in Physics and AI Methods for Drug Discovery - MolSoft ICM UGM 2023. Click the link to register https://t.co/NhCxdjqm7N and see the schedule here https://t.co/SD3DX7fd2P #drugdiscovery #drugdesign #compchem #AI #ML #gpu

[MolSoft LLC @MolSoft]

New publication from MolSoft. A novel bond graph-convolutional NN
architecture for learning statistical torsion profiles (GCNN-
STP). Application for quick qualitative strain calculations in CADD and conformational sampling.
https://t.co/VoYw3hRsjy
#compchem #neuralnetworks

[MolSoft LLC @MolSoft]

Molecular Dynamics (MD), New NN Ligand Docking and Screening Score and much more...
https://t.co/ywbPgLACYN
#compchem #medchem #drugdiscovery

[MolSoft LLC @MolSoft]

MolSoft is excited to announce the release of a new ICM-Pro version 3.9-3. The new version contains a Torsion Profile Neural Network (NN) Prediciton Engine, Protonation State of Ligand vs pH tool, Compact Efficient GIGA Sized Screening Libraries, Automated PROTAC Modeling...

[MolSoft LLC @MolSoft]

MolSoft Statement in Support of Ukrainian Chemists
#enamine #chemspace https://t.co/LHy8jLUkhb

[MolSoft LLC @MolSoft]

A recording of the webinar on PROTAC modeling in MolSoft's ICM-Pro Desktop Modeling Software.#PROTAC #DrugDiscovery #DrugDesign https://t.co/jhhhLtPeIu

[MolSoft LLC @MolSoft]

Please join us for a free webinar on PROTAC modeling in ICM-Pro - free 14 day license key provided. Register here: https://t.co/x3lqNIIsVn #PROTAC #compchem #drugdesign #medicinalchemistry #drugdiscovery

[Seva Katritch @sevakat1]

Was amused to find our V-SYNTHES paper mentioned in THIS blog in the same paragraph with Google's Isomorphic labs and InSilico Medicine clinical trials. Singularity is near! 😎
https://t.co/b6YSuycvod

[MolSoft LLC @MolSoft]

#compchem #medchem #drugdiscovery

[Seva Katritch @sevakat1]

Docking accuracy and fast/reliable cheminformatics are key for the V-SYNTHES method. @MolSoft ICM-Pro provides an excellent platform for both!
https://t.co/oa3uXfdt8N

[MolSoft LLC @MolSoft]

https://t.co/P7mnTJeeLW

[MolSoft LLC @MolSoft]

https://t.co/PtUMlGj4be