Beast code in Giters

Tagir Akhmetshin's repositories

altmol

Plugin to show molecule images on mouseover using RDKit and Altair

Language:Jupyter NotebookMIT11 10

Implementation of the method proposed in the paper "Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space" by Robin Winter, Floriane Montanari, Andreas Steffen, Hans Briem, Frank Noé and Djork-Arné Clevert

Language:PythonMIT100

rdchiral

Wrapper for RDKit's RunReactants to improve stereochemistry handling

Language:Jupyter NotebookMIT100

advanced_cv

New types of cross-validation

Language:PythonGPL-3.0010

aizynthfinder

A tool for retrosynthetic planning

Language:PythonMIT000

awesome-cheminformatics

A curated list of Cheminformatics libraries and software.

000

CGRtools

CGRs, molecules and reactions manipulation

Language:PythonLGPL-3.0000

streamlit_molecules_standardization

Example streamlit app for molecules standardization task

Language:Python010

chython

Library for processing molecules and reactions in python way

Language:PythonLGPL-3.0000

chytorch

Language:PythonLGPL-3.0000

CIMtools

Language:PythonGPL-3.0010

hyfactor

Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".

Language:PythonLGPL-3.0000

Molecule

Language:PythonLGPL-3.0010

ReactionDecoder

Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool

Language:JavaLGPL-3.0000

SPECTRE

Reference implementation for SPECTRE: Spectral Conditioning Helps to Overcome the Expressivity Limits of One-shot Graph Generators (ICML 2022)

Language:PythonMIT000

tagirshin

My personal repository.

010