Beast code in Giters

Birdlet's repositories

A curated list of awesome Cheminformatics libraries and software.

A simple Python script to convert from charmm-gui file to amber in Gromacs format

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Birdlet's Blog

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Population-based De Novo Molecule Generation, Using Grammatical Evolution

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CH485 - Artificial Intelligence and Chemistry

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Personal Scripts for Cheminformatics Utilities

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Drugbank.ca xml file converted to a mysql database

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Effective Polarizable Bond method

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MPI parallel version of the FTDock protein-protein docking algorithm

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Genetic algorithm to convert 3D-RISM solvent densities to explicit water molecules in binding pockets

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RESP-SigmaHole: Restrained Electrostatic Potential Charge for Sigma Hole of Cl, Br, I and aromatic S

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A Python implementation of Substructure-Drug-Target Network based Inference, SDTNBI

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