filippolipparini
I'm a quantum chemist, working on solvation and electronic structure, often in close contact with applied mathematicians. I love cooking, skiing and good wine
filippolipparini's Stars
TinkerTools/tinker
Tinker: Software Tools for Molecular Design
quanchaoyu/MolSurfComp
MolSurfComp is a Matlab package for molecular surface computation, in particular, for the solvent excluded surface (SES). It allows to compute all SES-singularities a priori, which is based on a new Voronoi-type diagram of balls.
pyscf/pyscf
Python module for quantum chemistry