mol-CSPy
Quickstart
Installation
CSD Python API
Advanced Configuration
mol-CSPy Commands
cspy-clg command
cspy-csp command
cspy-db command
cspy-dma command
cspy-opt command
cspy-qrbh command
cspy-reoptimize command
cspy-setup command
cspy-threshold command
Worked Examples
Crystal structure prediction of Acetic acid
Crystal structure prediction of a Co-crystal
Threshold simulation for Benzene
Quasi-random basin hopping (QRBH) simulation of benzamide
Misc
Common Errors
SQLite database schema
Useful Literature
Useful Scripts
License
mol-CSPy
SQLite database schema
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SQLite database schema
