Computable Drug Discovery. Our mission is to transform drug discovery into a computable task.
USA, Spain
Joined March 2011
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Acellera retweeted
Preprint release 😀 of "Speak to a Protein," an AI co-scientist that facilitates data gathering and analysis in an interactive collaborative session. It is quite amazing to use. Preprint: arxiv.org/abs/2510.17826
Learn how to set up and execute protein-ligand simulations with AceForce in our step-by-step tutorial:
software.acellera.com/acemd/…
AceForce 1.0 is here.
Our neural network potential is designed to enhance drug discovery with quantum-level accuracy. AceForce 1.0 delivers precise predictions, reduces computational costs, and integrates seamlessly into workflows.
Discover more: acellera.com/blog/advancing-…
ACEMD 4.0.0 is here! Now featuring seamless integration of Neural Network Potentials (NNP) with Molecular Mechanics (MM) for advanced hybrid simulations.
Key features: 🔹 Simplified NNP/MM simulations 🔹 Python API & backward compatibility
Explore more: acellera.com/blog/release-of…
Curious about our tools for drug discovery? Join us on Nov 6 at @ccpbiosim's Industry Talk, where we'll discuss how we use MD simulations in our QuantumBind platform. Register for free here: ukri.zoom.us/webinar/registe…
This afternoon, our CEO, @gdefabritiis , will be speaking at the @CECAMevents Flagship WS on how to enhance the accuracy of relative binding free energies via machine learning potentials
Acellera retweeted
ACEGEN: Reinforcement Learning of Generative Chemical Agents for Drug Discovery #DrugDiscovery
pubs.acs.org/doi/10.1021/acs…
@11carlesnavarro @MacMaje @gtresadern @VincentMoens @gdefabritiis @acellera
#JCIM Vol64 Issue15 #MachineLearning #DeepLearning
ACEGEN is now oficially published in @JCIM_JCTC. Check it out!
➡️ pubs.acs.org/doi/10.1021/acs…
🚀 ACEGEN by Acellera Therapeutics
Our new toolkit for generative drug design that harnesses #ReinforcementLearning. Designed for robustness and efficiency, ACEGEN accelerates the discovery of desirable molecules.
Learn more 👉 acellera.com/blog/acegen-a-r… #DrugDiscovery #AI #Pharma
Gianni De Fabritiis is attending the L2M3 Workshop at CECAM-HQ in Lausanne! He'll showcase as well Acellera's work on applying chemical language models for chemistry. Stay tuned for insights and updates! #LLMs #Chemistry #Acellera #Innovation @CECAM_Org @gdefabritiis
We are thrilled to announce that Professor Andrew White (@andrewwhite01), an AI-driven drug discovery pioneer, has joined Acellera Therapeutics' Advisory Board. Welcome, Andrew! acellera.com/blog/prof-andre…
Acellera retweeted
Acellera's CEO @gdefabritiis will give a lecture today on machine learning potentials at portal.ml4dd.com/summerschoo…
Acellera's CEO @gdefabritiis will give a lecture today on machine learning potentials at portal.ml4dd.com/summerschoo…
Trying to build nice graphics for a presentation? We are always working at improving the #PlayMolecule viewer. Try lnkd.in/dhVwfp7x.
Discover how Acellera Tx is leveraging AI-driven drug discovery to deliver efficient target-to-hit insights within weeks, achieving a hit rate of over 10% across various target families with our cutting-edge technology. 📅 Book a meeting to learn more: login.partnering.bio.org/ino…
🚀 ACEGEN by Acellera Therapeutics
Our new toolkit for generative drug design that harnesses #ReinforcementLearning. Designed for robustness and efficiency, ACEGEN accelerates the discovery of desirable molecules.
Learn more 👉 acellera.com/blog/acegen-a-r… #DrugDiscovery #AI #Pharma