Pinned Repositories
awesome-cheminformatics
A curated list of awesome Cheminformatics libraries and software.
birdlet.github.io
Birdlet's Blog
CH485---Artificial-Intelligence-and-Chemistry
CH485 - Artificial Intelligence and Chemistry
Charmm2Slipids
A simple Python script to convert from charmm-gui file to amber in Gromacs format
ChemGE
Population-based De Novo Molecule Generation, Using Grammatical Evolution
chemutils
Personal Scripts for Cheminformatics Utilities
drugbank_ca
Drugbank.ca xml file converted to a mysql database
EPB
Effective Polarizable Bond method
RESP-SigmaHole
RESP-SigmaHole: Restrained Electrostatic Potential Charge for Sigma Hole of Cl, Br, I and aromatic S
SDTNBI
A Python implementation of Substructure-Drug-Target Network based Inference, SDTNBI
Birdlet's Repositories
Birdlet/birdlet.github.io
Birdlet's Blog
Birdlet/awesome-cheminformatics
A curated list of awesome Cheminformatics libraries and software.
Birdlet/Charmm2Slipids
A simple Python script to convert from charmm-gui file to amber in Gromacs format
Birdlet/ChemGE
Population-based De Novo Molecule Generation, Using Grammatical Evolution
Birdlet/CH485---Artificial-Intelligence-and-Chemistry
CH485 - Artificial Intelligence and Chemistry
Birdlet/chemutils
Personal Scripts for Cheminformatics Utilities
Birdlet/drugbank_ca
Drugbank.ca xml file converted to a mysql database
Birdlet/EPB
Effective Polarizable Bond method
Birdlet/ftdock-mpi
MPI parallel version of the FTDock protein-protein docking algorithm
Birdlet/GAsol
Genetic algorithm to convert 3D-RISM solvent densities to explicit water molecules in binding pockets
Birdlet/RESP-SigmaHole
RESP-SigmaHole: Restrained Electrostatic Potential Charge for Sigma Hole of Cl, Br, I and aromatic S
Birdlet/SDTNBI
A Python implementation of Substructure-Drug-Target Network based Inference, SDTNBI
Birdlet/InteractionNet
Birdlet/NCDB-test
Birdlet/rddock
Birdlet/waterkit
Tool to predict water molecules placement and energy in ligand binding sites