xuyan-ru

Computational chemist by training, scientist that code to enable model-driven drug discovery.

@EliLillyCoIndianapolis, Indiana

Pinned Repositories

chemprop
Message Passing Neural Networks for Molecule Property Prediction
Language:Python1.6k 37 493553
python-duckdb-feedstock
A conda-smithy repository for python-duckdb.
Language:Shell11 6 1010
staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
Language:Python692 27 9544.8k
duckdb
DuckDB is an analytical in-process SQL database management system
Language:C++21k 198 4.7k1.7k
LillyMol
LillyMol Public Code
Language:C++85 19 2327
pygwalker
PyGWalker: Turn your pandas dataframe into an interactive UI for visual analysis
Language:Python10.8k 66 188550
chemprop
Message Passing Neural Networks for Molecule Property Prediction
Language:Python00
LillyMol
LillyMol Public Code
Language:C++00
staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
Language:Python00
xuyan-ru
00

xuyan-ru's Repositories

xuyan-ru/chemprop
Message Passing Neural Networks for Molecule Property Prediction
Language:Python00
xuyan-ru/LillyMol
LillyMol Public Code
Language:C++00
xuyan-ru/staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
Language:Python00
xuyan-ru/xuyan-ru
00