One recipe, 20 ADMET leaderboards: AceProp on the Polaris benchmarks
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What's new
The Blog
News and updates by our team.
Reaching the top tier of the PXR Blind Challenge with an AI-agent black-box trainer
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AceFF™-2: Bridging the Gap Between Speed and Accuracy in Drug Discovery
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From Conversation to Computation: PlayMolecule AI Now Executes Computational Workflows
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Stop Searching, Start Asking: Introducing "Speak to a Protein"
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Acellera and Psivant Collaborate to Develop Transformative Computational Drug Discovery Approaches Using AI and Quantum Simulations
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Advancing Drug Discovery with AceFF™ 1.0
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Release of ACEMD 4.0.0: Advancing Machine Learning for Molecular Dynamics Simulations
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Acellera CCPBioSim IndustryTalk: Applications of MD Simulations in Drug Discovery Pipelines
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Professor Andrew White Joins Acellera Therapeutics’ Advisory Board
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ACEGEN: A Reinforcement Learning Toolkit for Generative Drug Design
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Exploring the Complexities of PURA Syndrome: Insights from Molecular Dynamics
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Experimental-accuracy RBFE calculations (call for collaborations)
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PlayMolecule Viewer: A Toolkit for the Visualization of Molecules and Other Data
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Acellera receives ISO 27001 certification in information security
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OpenMM 8 with Integrated Machine Learning Potentials
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Machine Learning Small Molecule Properties in Drug Discovery: A Glimpse into Acellera's Innovations
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Top-Down Machine Learning of Coarse-Grained Protein Force Fields
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Machine learning coarse-grained potentials of protein thermodynamics
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NNP/MM: Accelerating Molecular Dynamics Simulations with Machine Learning Potentials and Molecular Mechanics
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Exploring the Alchemical Transfer Method
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SPICE Dataset Released
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Workshop “Methods In Molecular Simulations And Machine Learning” 14-16/07/22 Barcelona
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New Tutorial: Using PlayMolecule® AceProfiler To Identify Homologs In The Protein Data Bank
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Pocket Detection, Docking And Molecular Dynamics For Binding Mode Prediction.
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CrypticScout Redesigned To Improve Fragment Screening Analysis
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C4X Discovery And Acellera Collaborate To Shed Light On The Mechanisms Of Action Of Anti-Cancer Drugs
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Acellera And Chemotargets To Collaborate – Enhancing AI And Physics Based Drug Discovery
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New Tutorial: Using PlayMolecule Apps To Run A Drug Discovery Campaign
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New Tutorial: Predicting Ligand Binding Affinities With KDeep And KDeep Trainer
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Release Of ACEMD 3.5
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New Tutorial: AceDock, Protein-Ligand Docking And Virtual Screening.
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Release Of ACEMD 3.4
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TorchMD – A Deep Learning Framework For Molecular Simulations
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New Tutorial: Using CrypticScout To Find Binding Pockets In A Protein
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ACEMD And OpenMM Unite To Tackle New Challenges In Molecular Simulations
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How We Did On D3R Grand Challenge 4
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