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Search results for machine learning molecular simulation
machine-learning
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molecular-simulation
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5 search results found
Tensormol
⭐
190
Tensorflow + Molecules = TensorMol
Moleculekit
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183
MoleculeKit: Your favorite molecule manipulation kit
Pnerf
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21
Hotpot
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11
A python package designed to communicate among various chemical and materials calculational tools
Mbgdml
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8
Create, use, and analyze machine learning potentials within the many-body expansion framework.
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