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ROCHE pRED
- Basel
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ML_course
ML_course PublicForked from epfml/ML_course
Machine Learning Course Fall 2016 (a.k.a. PCML)
Jupyter Notebook 1
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GenIce
GenIce PublicForked from vitroid/GenIce
A swiss army knife to generate proton-disordered ice structures for GROMACS.
Python
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dftbplus
dftbplus PublicForked from dftbplus/dftbplus
DFTB+ general package for performing fast atomistic simulations
Fortran
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InterMol
InterMol PublicForked from shirtsgroup/InterMol
Conversion tool for molecular simulations
Python
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hgraph2graph
hgraph2graph PublicForked from wengong-jin/hgraph2graph
Hierarchical Graph-to-Graph Translation for Molecules
Python
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