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Icrea research professor at Universitat Pompeu Fabra.
Head of Computational Science Laboratory,
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University Pompeu Fabra; Acellera
- https://www.compscience.org
- @gdefabritiis
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Acellera/htmd
Acellera/htmd PublicHTMD: Programming Environment for Molecular Discovery
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Acellera/moleculekit
Acellera/moleculekit PublicMoleculeKit: Your favorite molecule manipulation kit
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torchmd/torchmd
torchmd/torchmd PublicEnd-To-End Molecular Dynamics (MD) Engine using PyTorch
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pytorch/rl
pytorch/rl PublicA modular, primitive-first, python-first PyTorch library for Reinforcement Learning.
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