Fork me on GitHub


Input File Format for Force Field X
Conversion Between File Formats
GPU Accelerated Side-Chain Optimization via Many-Body Dead-End Elimination
Side-Chain Optimization and Mutation via Many-Body DEE
Absolute Organic Crystal Thermodynamic Stability
AMOEBA-assisted X-ray Refinement at High and Low Resolution
Organic Crystal Thermodynamic Polymorph Search
GPU Accelerated MC-OST Solvation Free Energy