msricher Goto Github PK
Name: Michelle Richer
Type: User
Company: @theochem
Bio: Chemistry post-doc @ Queen's
Location: Hamilton, ON, Canada
Michelle Richer's Projects
atomdb
An Extended Periodic Table of Neutral and Charged Atomic Species
atomdb_clean
atomdbdata
Data for AtomDB
chemtools
A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.
diverseselector
Methods for selecting diverse (molecular) database.
gbasis
Python library for Gaussian basis function evaluation & integrals
horton
HORTON: Helpful Open-source Research TOol for N-fermion systems
iodata
Python library for reading, writing, and converting computational chemistry file formats and generating input files.
libcint
general GTO integrals for quantum chemistry
matrix-permanent
Evaluates the permanent of a (possibly rectangular) matrix
nice.jl
procrustes
Python library for finding the optimal transformation(s) that makes two matrices as close as possible to each other.
pyci
A flexible ab-initio quantum chemistry library for Configuration Interaction.
pyci_old
A flexible quantum chemistry CI library for Python 3.
qcint
An optimized libcint branch for X86 architecture
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