Highlights
- Pro
Pinned Loading
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CatKit
CatKit PublicForked from SUNCAT-Center/CatKit
General purpose tools for high-throughput catalysis
Python 1
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gocia
gocia PublicForked from zishengz/gocia
Global Optimizer for Clusters, Interfaces, and Adsorbates
Python
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NeuralForceField
NeuralForceField PublicForked from learningmatter-mit/NeuralForceField
Neural Network Force Field based on PyTorch
Jupyter Notebook
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learningmatter-mit/SingleAtom-LocalEnv
learningmatter-mit/SingleAtom-LocalEnv PublicActive learning accelerated exploration of the single atom local environments in multimetallic systems for oxygen electrocatalysis
Python 3
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