Happy hacking without fear!
Graph based CHEMical Object Library
rust implementation of octree algorithm for nearest neighbor search in 3D space
Rusty framework for multiscale/multilevel modeling
LBFGS optimization algorithm ported from liblbfgs
DIMER algorithm for reaction path optimization
1,098 contributions in the last year
Contributed to ybyygu/emacs-scratch, spdkit/python, ybyygu/gchemol-view and 39 other repositories
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