Molecular dynamics by NMR data analysis
General purpose de novo molecular design software
SMSD is a Java based software library for calculating MCS.
A biochemical property prediction system
Open-Source Cheminformatics and Machine Learning
Identification of chromatin accessibility from NOMe-seq
MolTPC provides a solution for fully automatic tautomer enumeration.
Carbon Fullerene and Capped Nanotube Generator
structural clustering of atomic trajectories based on PIV
Balance chemical reaction and compute material balance
HTML5 program for drawing and editting molecular structures
Massively Parallel Quantum Chemistry program
TreeLiker is a collection of fast algorithms for working with complex