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InterOptimus
InterOptimus PublicHigh-throughput simulation for crystalline interfaces
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mlipdockers
mlipdockers PublicRequest to docker containers in which the python enviroments for different machine learning potential usages are implemented. Using this package, one can get the predicted potential energy for any …
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mattergen
mattergen PublicForked from microsoft/mattergen
Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table that can be fine-tuned to steer the generation towards a wide range of property c…
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- mattergen Public Forked from microsoft/mattergen
Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table that can be fine-tuned to steer the generation towards a wide range of property constraints.
HouGroup/mattergen’s past year of commit activity - mlipdockers Public
Request to docker containers in which the python enviroments for different machine learning potential usages are implemented. Using this package, one can get the predicted potential energy for any structure using any MLIP without needing to change python environments.
HouGroup/mlipdockers’s past year of commit activity - resnap-ase-calc Public
HouGroup/resnap-ase-calc’s past year of commit activity
