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WHat's New

The Blog

News and updates by our team.

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Acellera and Psivant Collaborate to Develop Transformative Computational Drug Discovery Approaches Using AI and Quantum Simulations

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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

1

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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

Simplifying Protein-Ligand Binding Predictions

SPICE Dataset Released

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SPICE Dataset Released

A new DFT dataset for small molecules and more

Workshop “Methods In Molecular Simulations And Machine Learning”

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Workshop “Methods In Molecular Simulations And Machine Learning” 14-16/07/22 Barcelona

Learn more on the future of molecular simulations

New Tutorial: Using PlayMolecule

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New Tutorial: Using PlayMolecule® AceProfiler To Identify Homologs In The Protein Data Bank

Easily navigate the Protein Data Bank.