jsunseri Goto Github PK
Name: Jocelyn Sunseri
Type: User
Jocelyn Sunseri's Projects
ased3
Python-native(ish) implementation of Grimme's DFT-D3(BJ) correction for use in Atomic Simulation Environment (ASE)
bootstrapped
Generate bootstrapped confidence intervals for A/B testing in Python.
integrate
jsunseri.github.io
koesgroup-wiki
libmolgrid
Comprehensive library for fast, GPU accelerated molecular gridding for deep learning workflows
notes
openbabel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
planets
scripts
vs_paper
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