greglandrum Goto Github PK
Name: Greg Landrum
Type: User
Greg Landrum's Projects
aichem_2024
material for AICHEM/AIDD 2024
aidd_rdkit_tutorial_2021
Materials from the Intro to the RDKit tutorial at AIDD 2021
aisem23
Repository for the SCS Spring School on Digital Chemistry
automatedseriesclassification
benchmarking_platform
chem-search
chembl_beaker
RDKit and OSRA in the Bottle on Tornado
chembl_clippy
A cross-platform chemical structure rendering desktop app.
chembl_structure_pipeline
ChEMBL database structure pipelines
chemicalite
A cheminformatic SQLite database extension.
cheto
conda-rdkit
Conda build recipe for the rdkit
conda_build_problems
coordgenlibs
Schrodinger-developed 2D Coordinate Generation
custometkdg
fpsim2
Simple package for fast molecular similarity searches
ghost
gps_scrape
Various small tools for dealing with our gpx files
gpusimilarity
A basic Cuda/Thrust implementation of fingerprint similarity searching
intake
Intake is a lightweight package for finding, investigating, loading and disseminating data.
intake-rdkit
RDKit-based chemistry support for intake
knimepy
libmolgrid
Comprehensive library for fast, GPU accelerated molecular gridding for deep learning workflows
lightweight-registration
maeparser
maestro file parser
mdfptools
mlddec
molecular_interchange
org.rdkit.lucene
Lucene Chemical Index based on RDKit functionality.
osmseries4paper1
Working Repository of Files Related to Open Source Malaria Series 4, Paper 1
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