kingljy0818

Pinned Repositories

yank-benchmark
Standard experimental accuracy benchmark set for YANK.
Language:Jupyter Notebook0 0 00
aizynthfinder
A tool for retrosynthetic planning
Language:Python574 29 106131
REINVENT4
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
Language:Python311 21 8775

kingljy0818's Repositories

kingljy0818/yank-benchmark
Standard experimental accuracy benchmark set for YANK.
Language:Jupyter Notebook0 0 00