Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, etc
Scoring and Minimization with AutoDock Vina
2D molecule editor
An interactive viewer for three-dimensional chemical structures.
vmdStore provides a user-friendly interface to free install VMD plugin
A software package for processing and analyzing chemical trajectories
ShelXle is a Qt GUI for SHELXL
JavaScript-Based Molecular Viewer From Jmol
Molecular dynamics by NMR data analysis
MzDOCK is A Virtual Screening Tool For Drug Discovery Research
Open-source online virtual screening tools for large databases
A molecular viewer for quantum chemistry files
Approximate solvation free energy calculator
Analysis, visualization, edition of 3D atomistic models
The BMRB library
Generation of molecular formulas by high-resolution MS and MS/MS data
Time-dependent simulation of open and closed quantum systems
Materials and Computational Chemistry applications on HPC platform