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mlcolvar Public
Forked from luigibonati/mlcolvarA unified framework for machine learning collective variables for enhanced sampling simulations
Python MIT License UpdatedJun 8, 2024 -
labutil Public
Forked from rgbombarelli/labutilLab materials for MIT 3.320 and Harvard AP 275
Python MIT License UpdatedOct 16, 2023 -
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reaction-translation Public
organic chemistry reaction prediction using NMT
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tensorflow-kr Public
Forked from tensorflowkorea/tensorflow-krtensorflow.org 문서 번역 레파지토리
Python Apache License 2.0 UpdatedOct 18, 2016 -
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rdkit Public
Forked from rdkit/rdkitThe official sources for the RDKit library
C++ Other UpdatedOct 1, 2016 -
spectral-workbench Public
Forked from publiclab/spectral-workbenchWeb-based tools for collecting, analyzing, and sharing data from a DIY spectrometer
Ruby GNU General Public License v3.0 UpdatedOct 1, 2016 -
SunSpotTracker Public
Forked from seungwonpark/SunSpotTrackerSunspot Tracking tool
Python MIT License UpdatedSep 29, 2016 -
openbabel Public
Forked from openbabel/openbabelOpen Babel is a chemical toolbox designed to speak the many languages of chemical data.
C++ GNU General Public License v2.0 UpdatedMar 3, 2016 -
wxmacmolplt Public
Forked from brettbode/wxmacmolpltwxMacMolPlt is a graphical user interface principally for the GAMESS program
C++ Other UpdatedFeb 9, 2016 -
CIRpy Public
Forked from mcs07/CIRpyPython wrapper for the NCI Chemical Identifier Resolver (CIR)
Python MIT License UpdatedJan 4, 2016