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Joe Gomes's Projects

alf icon alf

A framework for performing active learning for training machine-learned interatomic potentials.

ase icon ase

Atomic Simulation Environment - unofficial mirror from https://gitlab.com/ase/ase

atom3d icon atom3d

ATOM3D: tasks on molecules in three dimensions

cqo icon cqo

Classical Quantum Optimization

deepchem icon deepchem

Deep-learning models for Drug Discovery and Quantum Chemistry

mamehub icon mamehub

Netplay-capable multi-machine emulator

openff-evaluator icon openff-evaluator

A physical property evaluation toolkit from the Open Forcefield Consortium.

vde icon vde

Variational Autoencoder for Dimensionality Reduction of Time-Series

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