greglandrum
Follow
-
rdkit Public
Forked from rdkit/rdkitThe official sources for the RDKit library
-
rdkit-blog Public
RDKit blog
-
rdkit_blog Public
RDKit related blog posts, notebooks, and data.
-
maeparser Public
Forked from schrodinger/maeparsermaestro file parser
C++ MIT License UpdatedOct 25, 2024 -
rdkit-feedstock Public
Forked from conda-forge/rdkit-feedstockA conda-smithy repository for rdkit.
Batchfile BSD 3-Clause "New" or "Revised" License UpdatedSep 28, 2024 -
-
-
conda-forge-admin-requests Public
Forked from conda-forge/admin-requestsPython UpdatedJul 19, 2024 -
lightweight-registration Public
Forked from rinikerlab/lightweight-registrationJupyter Notebook MIT License UpdatedJun 10, 2024 -
-
yaehmop Public
Yet Another extended Hueckel Molecular Orbital Package
-
-
-
gps_scrape Public
Various small tools for dealing with our gpx files
Python BSD 2-Clause "Simplified" License UpdatedOct 15, 2023 -
-
TeachOpenCADD Public
Forked from volkamerlab/teachopencaddTeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
-
aisem23 Public
Repository for the SCS Spring School on Digital Chemistry
-
rdkit-blog-fastpages Public
-
benchmarking_platform Public
Forked from rdkit/benchmarking_platform -
intake-rdkit Public
RDKit-based chemistry support for intake
-
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 UpdatedMar 18, 2022 -
coordgenlibs Public
Forked from schrodinger/coordgenlibsSchrodinger-developed 2D Coordinate Generation
C++ BSD 3-Clause "New" or "Revised" License UpdatedJan 4, 2022 -
-
-
-
AIDD_RDKit_Tutorial_2021 Public
Materials from the Intro to the RDKit tutorial at AIDD 2021
-
shape-it Public
Forked from rdkit/shape-itUpdated version of Silicos-it's shape-based alignment tool
C++ MIT License UpdatedAug 6, 2021 -
ChEMBL_Structure_Pipeline Public
Forked from chembl/ChEMBL_Structure_PipelineChEMBL database structure pipelines
Python MIT License UpdatedJul 9, 2021 -
AutomatedSeriesClassification Public
Forked from rdkit/AutomatedSeriesClassificationJupyter Notebook MIT License UpdatedJun 23, 2021 -