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REINVENT4 Public
Forked from MolecularAI/REINVENT4AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
Python Apache License 2.0 UpdatedNov 21, 2024 -
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intro-to-rag Public
Forked from svpino/gentle-intro-to-ragSimple RAG application
Jupyter Notebook UpdatedOct 23, 2024 -
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dmol-book Public
Forked from whitead/dmol-bookDeep learning for molecules and materials book
Jupyter Notebook Other UpdatedNov 20, 2022 -
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exmol Public
Forked from ur-whitelab/exmolExplainer for black box models that predict molecule properties
Jupyter Notebook MIT License UpdatedAug 27, 2021 -
Vehicle_to_grid Public
Statistical models to test economic feasibility of vehicle to grid technology in major US cities
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staged-recipes Public
Forked from conda-forge/staged-recipesA place to submit conda recipes before they become fully fledged conda-forge feedstocks
Python BSD 3-Clause "New" or "Revised" License UpdatedOct 8, 2020 -
2020-software-fellow-posters Public
Forked from MolSSI-Education/2020-software-fellow-postersJavaScript MIT License UpdatedJul 2, 2020 -
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