Topic: psi4 Goto Github
Some thing interesting about psi4
Some thing interesting about psi4
psi4,A Psi4 plugin for https://github.com/berquist/libresponse
User: berquist
psi4,SAPT energy calculator built using MDAnalysis and Psi4
Organization: calpolyccg
psi4,Quant Chem python scripts using PSI4 and RdKit
User: docminus
psi4,RESP with inter- and intra-molecular constraints in Psi4.
User: lilyminium
Home Page: https://psiresp.readthedocs.io/
psi4,A simple ASE calculator for psi4
Organization: medford-group
psi4,A SEAMM plug-in to setup, run and analyze quantum chemistry calculations using Psi4.
Organization: molssi-seamm
psi4,Cheminformatics course at [Ho Chi Minh City University of Technology and Education (HCMUTE)
User: phatdatnguyen
psi4,A web UI app for Psi4 calculations
User: phatdatnguyen
psi4,Python tools for automating routine tasks encountered when running quantum chemistry computations.
Organization: qchasm
Home Page: https://aarontools.readthedocs.io/en/latest/
psi4,RadonPy is a Python library to automate physical property calculations for polymer informatics.
Organization: radonpy
psi4,Psi4 Tutorial for Beginners.
User: ryokokuga
Home Page: http://pc-chem-basics.blog.jp/
psi4,Batch job processor for Psi4 (Windows).
User: ryokokuga
Home Page: http://pc-chem-basics.blog.jp/archives/28253902.html
psi4,Run sets of computational chemistry calculations in batch.
User: schneiderfelipe
Home Page: https://github.com/schneiderfelipe/marathon
psi4,An optimizer for quantum chemical calculation including artificial force induced reaction method
User: ss0832
psi4,
User: steinraf
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