Thomas Coudrat
@tomsilico.bsky.social
Computational chemistry and AI for drug design in biotech #compchem | CSIRO, Melbourne AU
Registrations and abstract submission for the 23rd Melbourne Proteins Group Student Symposium are still open!
16th July, Bio21 Institute, Melbourne.
Register here!
www.eventbrite.com.au/e/mpg-23rd-s...
16th July, Bio21 Institute, Melbourne.
Register here!
www.eventbrite.com.au/e/mpg-23rd-s...
June 5, 2025 at 1:38 AM
Registrations and abstract submission for the 23rd Melbourne Proteins Group Student Symposium are still open!
16th July, Bio21 Institute, Melbourne.
Register here!
www.eventbrite.com.au/e/mpg-23rd-s...
16th July, Bio21 Institute, Melbourne.
Register here!
www.eventbrite.com.au/e/mpg-23rd-s...
Reposted by Thomas Coudrat
Super excited to preprint our work on developing a Biomolecular Emulator (BioEmu): Scalable emulation of protein equilibrium ensembles with generative deep learning from @msftresearch.bsky.social ch AI for Science.
www.biorxiv.org/content/10.1...
www.biorxiv.org/content/10.1...
December 6, 2024 at 8:39 AM
Super excited to preprint our work on developing a Biomolecular Emulator (BioEmu): Scalable emulation of protein equilibrium ensembles with generative deep learning from @msftresearch.bsky.social ch AI for Science.
www.biorxiv.org/content/10.1...
www.biorxiv.org/content/10.1...
November 23, 2024 at 2:39 AM
🚀 P2Rank 2.5 now offers #ChimeraX visualizations of ligand-binding site predictions (alongside #PyMOL ones)! Huge thanks to @javierutges.bsky.social and ChimeraX team for inspiration and help.
Release Details: github.com/rdk/p2rank/r...
💡 Feedback welcome!
#Bioinformatics #DrugDiscovery
Release Details: github.com/rdk/p2rank/r...
💡 Feedback welcome!
#Bioinformatics #DrugDiscovery
November 22, 2024 at 2:09 PM
We are exploring the structure of a protein using #AlphaFold and #RFDiffusion models to later identify potential interactors. Interested in collaborating? Please send a direct message. #AI #ML
November 20, 2024 at 7:59 PM
#compchemsky & #chemsky: I am looking for a guest 🎤 lecturer for my UG class showcasing real-world uses of AI/ML, quantum chemistry, MD simulations - who’s interested? 💻🧬🧪
November 20, 2024 at 11:26 AM
🧪 For people interested in AI & enzymes (enzyme engineering, design, discovery, ...), I'm assembling a starter pack for us.
DM if you'd like to be included!
go.bsky.app/MhfaQBh
DM if you'd like to be included!
go.bsky.app/MhfaQBh
November 20, 2024 at 11:24 AM
The ASAP Discovery Consortium is now on Bluesky!
Check out our open science pipeline for antiviral drug discovery here: asapdiscovery.org
Check out our open science pipeline for antiviral drug discovery here: asapdiscovery.org
November 20, 2024 at 7:36 AM
We are hiring postdoctoral associates for lnkd.in/ePm4h4pE Project in collaboration w Mario Motta IBM lnkd.in/e6qpbUSb on Localized Quantum Chemistry Algorithms for Quantum Computers. LASSCF will be integrated with use sample-based quantum diagonalization, recently developed by Mario and IBM
LinkedIn
This link will take you to a page that’s not on LinkedIn
lnkd.in
November 19, 2024 at 9:00 PM
Are you excited about finding out how new proteins emerge and evolve? So are we! Come join us in beautiful Lund! 2 year computational postdoc, in collaboration with Marie Skepö. Submit your application by December 31st for full consideration.
drive.google.com/file/d/1AJIb...
drive.google.com/file/d/1AJIb...
November 18, 2024 at 7:45 PM
Blog - Running the new boltz-1 cofolding model on Modal: ljmartin.github.io/blog/26_bolt...
Boltz-1 on Modal
A100s for all
ljmartin.github.io
November 18, 2024 at 7:41 PM
Hello ChemSky! Falgun Shah is hiring an Associate Director Role in ML in Computational Toxicology Team at Merck! If you’re passionate about multimodal data, and pattern analysis, and excited to work in biology, toxicology, and ML, consider applying! This position is offered at West Point, PA or SF.
Associate Director, Computational Biology /Toxicology job in West Point, Pennsylvania, United States of America | jobs at Merck
Apply for Associate Director, Computational Biology /Toxicology job with Merck in West Point, Pennsylvania, United States of America. Browse and apply for the jobs at Merck
jobs.merck.com
November 18, 2024 at 3:13 PM
I just joined Bluesky as well... let's rebuild the same nice community in the cheminformatics/comp chem/bioinformatics/drug discovery etc. areas that 'the other place' was in the good old days 😊! Looking forward to reconnecting with people here, Andreas
November 18, 2024 at 3:12 PM
Reposted by Thomas Coudrat
Gave a short presentation on Illuminating Molecules in #molstar at the November 2024 #WebGL & #WebGPU Meetup
www.khronos.org/events/webgl...
www.khronos.org/events/webgl...
November 17, 2024 at 9:47 PM
Gave a short presentation on Illuminating Molecules in #molstar at the November 2024 #WebGL & #WebGPU Meetup
www.khronos.org/events/webgl...
www.khronos.org/events/webgl...
Reposted by Thomas Coudrat
Thrilled to announce Boltz-1, the first open-source and commercially available model to achieve AlphaFold3-level accuracy on biomolecular structure prediction! An exciting collaboration with Jeremy, Saro, and an amazing team at MIT and Genesis Therapeutics. A thread!
November 17, 2024 at 4:20 PM
Thrilled to announce Boltz-1, the first open-source and commercially available model to achieve AlphaFold3-level accuracy on biomolecular structure prediction! An exciting collaboration with Jeremy, Saro, and an amazing team at MIT and Genesis Therapeutics. A thread!
Reposted by Thomas Coudrat
Very interesting benchmark of 13 state-of-the-art protein-ligand binding site prediction, including geometry-based, energy-based and #machinelearning methods.
jcheminf.biomedcentral.com/articles/10....
#chemsky #compchem
jcheminf.biomedcentral.com/articles/10....
#chemsky #compchem
Comparative evaluation of methods for the prediction of protein–ligand binding sites - Journal of Cheminformatics
The accurate identification of protein–ligand binding sites is of critical importance in understanding and modulating protein function. Accordingly, ligand binding site prediction has remained a resea...
jcheminf.biomedcentral.com
November 17, 2024 at 8:39 AM
Very interesting benchmark of 13 state-of-the-art protein-ligand binding site prediction, including geometry-based, energy-based and #machinelearning methods.
jcheminf.biomedcentral.com/articles/10....
#chemsky #compchem
jcheminf.biomedcentral.com/articles/10....
#chemsky #compchem
If you are or know someone looking for an internship in the summer.
Here, the call for two openings in the AI for Science team at Microsoft Research in Redmond.
jobs.careers.microsoft.com/global/en/sh...
Here, the call for two openings in the AI for Science team at Microsoft Research in Redmond.
jobs.careers.microsoft.com/global/en/sh...
Research Intern - Applied AI for Science in Redmond, Washington, United States | Research, Applied, & Data Sciences at Microsoft
Apply for Research Intern - Applied AI for Science in Redmond, Washington, United States | Research, Applied, & Data Sciences at Microsoft
jobs.careers.microsoft.com
November 17, 2024 at 5:32 PM
Reposted by Thomas Coudrat
Save the date: I'm happy to announce that the 2025 RDKit UGM will take place in Prague, Czechia from 10-12 September.
The organizers are Martin Šícho and Daniel Svozil from the University of Chemistry and Technology in Prague.
Registration details will follow early next year.
The organizers are Martin Šícho and Daniel Svozil from the University of Chemistry and Technology in Prague.
Registration details will follow early next year.
October 22, 2024 at 7:31 AM
Save the date: I'm happy to announce that the 2025 RDKit UGM will take place in Prague, Czechia from 10-12 September.
The organizers are Martin Šícho and Daniel Svozil from the University of Chemistry and Technology in Prague.
Registration details will follow early next year.
The organizers are Martin Šícho and Daniel Svozil from the University of Chemistry and Technology in Prague.
Registration details will follow early next year.
Reposted by Thomas Coudrat
🚨The future Pereira lab is hiring!
We will start at @vibai.bsky.social in Feb 2025 and are looking for a postdoc to join our team 🤓
If you want to leverage AI and large networks to explore and understand the protein universe 🌌, check below!
*deadline: 21 Nov 2024*
jobs.vib.be/j/93314/post...
We will start at @vibai.bsky.social in Feb 2025 and are looking for a postdoc to join our team 🤓
If you want to leverage AI and large networks to explore and understand the protein universe 🌌, check below!
*deadline: 21 Nov 2024*
jobs.vib.be/j/93314/post...
Postdoc in Protein Computational Biology / Structural Bioinformatics - VIB
Job description
We are seeking a postdoc to join the Pereira Lab for an interdisciplinary project that integrates structural bioinformatics, protein evolution, complex network analysis, and deep learn...
jobs.vib.be
November 16, 2024 at 9:08 PM
🚨The future Pereira lab is hiring!
We will start at @vibai.bsky.social in Feb 2025 and are looking for a postdoc to join our team 🤓
If you want to leverage AI and large networks to explore and understand the protein universe 🌌, check below!
*deadline: 21 Nov 2024*
jobs.vib.be/j/93314/post...
We will start at @vibai.bsky.social in Feb 2025 and are looking for a postdoc to join our team 🤓
If you want to leverage AI and large networks to explore and understand the protein universe 🌌, check below!
*deadline: 21 Nov 2024*
jobs.vib.be/j/93314/post...
Reposted by Thomas Coudrat
Interested in the open source software ecosystem for drug discovery? Give the Open Molecular Software Foundation (@omsf.bsky.social) a follow!
November 16, 2024 at 1:31 AM
Interested in the open source software ecosystem for drug discovery? Give the Open Molecular Software Foundation (@omsf.bsky.social) a follow!
Reposted by Thomas Coudrat
The OMSF (@omsf.bsky.social) OpenADMET project is hiring a Science Lead for ML models of molecular property prediction, as well as a Senior Scientist for data curation and pipeline integration! Help build the future of open source ADMET prediction and ML model enablement!
openadmet.org/jobs/
openadmet.org/jobs/
openadmet.org
November 16, 2024 at 1:42 AM
The OMSF (@omsf.bsky.social) OpenADMET project is hiring a Science Lead for ML models of molecular property prediction, as well as a Senior Scientist for data curation and pipeline integration! Help build the future of open source ADMET prediction and ML model enablement!
openadmet.org/jobs/
openadmet.org/jobs/
Reposted by Thomas Coudrat
You have 10 more days to apply for an internship with me, Ava Amini, Alex Lu, Lorin Crawford, or Kristen Severson!
Make sure you include a research statement with your application.
jobs.careers.microsoft.com/global/en/jo...
Make sure you include a research statement with your application.
jobs.careers.microsoft.com/global/en/jo...
Search Jobs | Microsoft Careers
jobs.careers.microsoft.com
November 12, 2024 at 4:22 PM
You have 10 more days to apply for an internship with me, Ava Amini, Alex Lu, Lorin Crawford, or Kristen Severson!
Make sure you include a research statement with your application.
jobs.careers.microsoft.com/global/en/jo...
Make sure you include a research statement with your application.
jobs.careers.microsoft.com/global/en/jo...
Reposted by Thomas Coudrat
We are now on Bluesky! OMSF supports the ever-growing ecosystem of open source molecular software. We love all things #opensource, #science, and #software - if you do too, follow us!
September 28, 2023 at 7:27 PM
We are now on Bluesky! OMSF supports the ever-growing ecosystem of open source molecular software. We love all things #opensource, #science, and #software - if you do too, follow us!