Highlights
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chemprop_developing Public
Forked from chemprop/chempropMessage Passing Neural Networks for Molecule Property Prediction
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QM_descriptors_calculation Public
Forked from cjmcgill/QM_descriptors_calculation -
ACS Public
Automated Conformer Search for Multi-structural Thermo-Kinetic Calculations
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oscarwumit.github.io Public
Forked from academicpages/academicpages.github.ioGithub Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
JavaScript MIT License UpdatedSep 16, 2023 -
QuantumPioneer Public
Forked from QuantumPioneer/QuantumPioneerJupyter Notebook MIT License UpdatedSep 11, 2023 -
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molecool Public
A sample repo for the MSF 2020 bootcamp
Python BSD 3-Clause "New" or "Revised" License UpdatedAug 4, 2020 -
OpenRDM Public
Forked from SinaMostafanejad/OpenRDMAn open-source library for reduced-density matrix-based analysis and computation
C++ BSD 3-Clause "New" or "Revised" License UpdatedJul 29, 2020 -
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ARC Public
Forked from ReactionMechanismGenerator/ARCARC - Automatic Rate Calculator
Jupyter Notebook MIT License UpdatedJan 2, 2020 -
python-anti-patterns Public
Forked from quantifiedcode/python-anti-patternsAn open collection of Python anti-patterns and "worst practices".
Other UpdatedSep 23, 2019 -
RMG-database Public
Forked from ReactionMechanismGenerator/RMG-databaseThe database of chemical parameters used with Reaction Mechanism Generator
Python UpdatedSep 15, 2019 -
misc_scripts Public
Forked from mliu49/misc_scriptsCollection of scripts and IPython notebooks created for various projects.
Jupyter Notebook MIT License UpdatedJul 18, 2019 -
RMG-Py Public
Forked from ReactionMechanismGenerator/RMG-PyPython version of the amazing Reaction Mechanism Generator (RMG).
Python Other UpdatedJul 12, 2019 -
code-1 Public
Forked from ActiveState/codeActiveState Code Recipes
Python MIT License UpdatedMar 14, 2019 -
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khan-academy Public
Forked from avh4/khan-academyFork of the hg repository: Khan Academy main web application
Python UpdatedNov 5, 2011