Pinned Repositories
rdkit
The official sources for the RDKit library
maeparser
maestro file parser
coordgenlibs
Schrodinger-developed 2D Coordinate Generation
coordgenlibs
Schrodinger-developed 2D Coordinate Generation
coveragepy
A mirror: the real repo is at https://bitbucket.org/ned/coveragepy
cpython
The Python programming language
gcovr
Main gcovr repository (See http://gcovr.com)
LibCST
A concrete syntax tree parser and serializer library for Python that preserves many aspects of Python's abstract syntax tree
maeparser
maestro file parser
pymol-open-source
Open-source foundation of the user-sponsored PyMOL molecular visualization system.
d-b-w's Repositories
d-b-w/rdkit
The official sources for the RDKit library
d-b-w/LibCST
A concrete syntax tree parser and serializer library for Python that preserves many aspects of Python's abstract syntax tree
d-b-w/coordgenlibs
Schrodinger-developed 2D Coordinate Generation
d-b-w/swig
SWIG is a software development tool that connects programs written in C and C++ with a variety of high-level programming languages.
d-b-w/UGM_2022
Materials from the 2022 UGM
d-b-w/maeparser
maestro file parser
d-b-w/rxnmapper
RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions" (https://advances.sciencemag.org/content/7/15/eabe4166).
d-b-w/pymol-open-source
Open-source foundation of the user-sponsored PyMOL molecular visualization system.
d-b-w/ValidationSuite
d-b-w/UGM_2019
d-b-w/cpython
The Python programming language
d-b-w/pytest
The pytest framework makes it easy to write small tests, yet scales to support complex functional testing
d-b-w/coveragepy
A mirror: the real repo is at https://bitbucket.org/ned/coveragepy
d-b-w/pytest-xdist
a py.test plugin for distributed testing and loop-on-failures testing modes.
d-b-w/gcovr
Main gcovr repository (See http://gcovr.com)