|
wxmacmolplt
|
7.7.2-1 |
8 |
0.00
|
An open-source gui for preparing, submitting and visualizing input and output for the GAMESS quantum chemistry package. |
hseara
|
2022-01-07 14:37 (UTC) |
|
nwchem
|
7.2.2-1 |
8 |
0.00
|
Ab initio computational chemistry software package |
a.kudelin
|
2024-01-27 16:34 (UTC) |
|
liboglappth
|
1.0.0-2 |
7 |
0.00
|
Library containing computational chemistry facility of ghemical |
ConnorBehan
|
2021-04-04 23:21 (UTC) |
|
libghemical
|
3.0.0-2 |
7 |
0.00
|
Library containing computational chemistry facility of ghemical |
ConnorBehan
|
2021-04-04 23:20 (UTC) |
|
mopac7
|
1.15-1 |
6 |
0.00
|
Computational chemistry library, that provides function to ghemical |
ConnorBehan
|
2021-03-24 02:22 (UTC) |
|
ghemical
|
3.0.0-4 |
6 |
0.00
|
Computational chemistry package |
ConnorBehan
|
2023-06-03 16:07 (UTC) |
|
psi4-git
|
1.7.r22.g61c0b47982-1 |
4 |
0.00
|
Open-source quantum chemistry |
Tenshi65535
|
2023-02-09 05:54 (UTC) |
|
nwchem-bin
|
7.0.2.1-1 |
3 |
0.00
|
Open Source High-Performance Computational Chemistry (Debian binary build) |
berquist
|
2022-06-04 17:14 (UTC) |
|
ghemical-mpqc
|
3.0.0-3 |
3 |
0.00
|
Computational chemistry package. Version with enabled mpqc |
arcanis
|
2021-03-14 16:38 (UTC) |
|
genchemlab
|
1.0.1-1 |
3 |
0.00
|
An application intended to simulate common general chemistry laboratory exercises |
ids1024
|
2015-06-18 16:53 (UTC) |
|
gabedit
|
2.5.1-1 |
3 |
0.00
|
A graphical user interface to computational chemistry packages |
Sylogista
|
2021-11-12 00:10 (UTC) |
|
python-pyscf
|
2.1.1-1 |
2 |
0.00
|
Python module for quantum chemistry |
shivupa
|
2022-12-07 20:09 (UTC) |
|
openbabel-git
|
3.0.90.r5774.686ee22f2-1 |
2 |
0.00
|
A library designed to interconvert between many file formats used in molecular modeling and computational chemistry (git version, builds Python bindings) |
berquist
|
2020-03-22 18:02 (UTC) |
|
libcint
|
5.3.0-1 |
2 |
0.00
|
General GTO integrals for quantum chemistry |
Tenshi65535
|
2023-05-23 01:20 (UTC) |
|
jchempaint
|
3.3.1210-3 |
2 |
0.00
|
Chemical 2D structure editor application/applet based on the Chemistry Development Kit |
awacha
|
2022-12-21 07:01 (UTC) |
|
cp2k-bin
|
2024.1-1 |
2 |
0.00
|
A quantum chemistry and solid state physics software package for atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems. (precompiled, OpenMP) |
petronny
|
2024-01-15 07:57 (UTC) |
|
bader
|
1.0.4-1 |
2 |
0.00
|
Quantum chemistry - Bader population analysis |
specter119
|
2020-03-04 10:50 (UTC) |
|
python-qcengine
|
0.29.0-1 |
1 |
0.00
|
Quantum chemistry program executor and IO standardizer (QCSchema) for quantum chemistry |
berquist
|
2024-02-24 20:28 (UTC) |
|
python-pyscf-git
|
1.7.6a1.r104.g09eca1f68-1 |
1 |
0.00
|
Python-based Simulations of Chemistry Framework |
shivupa
|
2021-02-18 20:18 (UTC) |
|
python-openchemistrypy-git
|
0.0.22-1 |
1 |
0.00
|
OpenChemistry python libraries. |
shivupa
|
2021-08-11 03:56 (UTC) |
|
python-cclib
|
1.8-1 |
1 |
0.00
|
A library for parsing and interpreting the results of computational chemistry packages. |
berquist
|
2023-11-17 19:23 (UTC) |
|
psi4
|
1.7-1 |
1 |
0.00
|
Open-source quantum chemistry - an electronic structure package in C++ driven by Python |
Tenshi65535
|
2022-12-17 09:13 (UTC) |
|
nwchem-data
|
7.0.2.1-1 |
1 |
0.00
|
Open Source High-Performance Computational Chemistry (basis sets, FF params needed for Debian binary build) |
berquist
|
2022-06-04 17:15 (UTC) |
|
cp2k
|
8.2.0-1 |
1 |
0.00
|
A quantum chemistry and solid state physics software package |
Tenshi65535
|
2021-07-16 21:27 (UTC) |
|
python-qcelemental
|
0.27.1-1 |
0 |
0.00
|
Periodic table, physical constants, and molecule parsing for quantum chemistry |
berquist
|
2024-02-24 20:32 (UTC) |
|
python-pyquante2-git
|
r548.4b05475-1 |
0 |
0.00
|
Python Quantum Chemistry Reloaded. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me. (git version) |
berquist
|
2018-05-12 02:30 (UTC) |
|
python2-pyquante2-git
|
r548.4b05475-1 |
0 |
0.00
|
Python Quantum Chemistry Reloaded. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me. (git version) |
berquist
|
2018-05-12 02:30 (UTC) |
|
python-iodata-git
|
1.0.0a2.r1341.6b9c6e0-1 |
0 |
0.00
|
Python library for reading, writing, and converting computational chemistry file formats and generating input files. (git version) |
berquist
|
2024-02-24 20:49 (UTC) |
|
python2-chemlab-git
|
0.4.1.r725.cc10e09-1 |
0 |
0.00
|
A general Python library for computational chemistry (git version) |
berquist
|
2015-08-07 15:41 (UTC) |
|
python-chemlab-git
|
0.4.1.r725.cc10e09-1 |
0 |
0.00
|
A general Python library for computational chemistry (git version) |
berquist
|
2015-08-07 15:41 (UTC) |
|
python-cclib-git
|
1.8.1.r4748.6832e465-1 |
0 |
0.00
|
A library for parsing and interpreting the results of computational chemistry packages. (git version) |
berquist
|
2024-02-24 21:02 (UTC) |
|
python-basis_set_exchange
|
0.8.12-1 |
0 |
0.00
|
A repository for quantum chemistry basis sets |
berquist
|
2020-04-26 03:53 (UTC) |
|
psi4-git-gccmkl
|
master-2 |
0 |
0.00
|
Open-source quantum chemistry |
shivupa
|
2020-10-21 05:19 (UTC) |
|
perl-chemistry-mol
|
0.38-1 |
0 |
0.00
|
Molecule object toolkit |
orphan
|
2021-05-22 12:53 (UTC) |
|
perl-chemistry-elements
|
1.075-3 |
0 |
0.00
|
Perl extension for working with Chemical Elements |
awacha
|
2023-03-19 17:32 (UTC) |
|
openbabel2
|
2.4.1-1 |
0 |
0.00
|
A library designed to interconvert between many file formats used in molecular modeling and computational chemistry (libs only) |
orphan
|
2020-02-14 15:11 (UTC) |
|
nwchem-git
|
r28217.efdd7b6c36-1 |
0 |
0.00
|
Ab initio computational chemistry software package (SVN trunk via Git) |
berquist
|
2017-05-12 20:09 (UTC) |
|
mrchem
|
1.0.0_alpha1-1 |
0 |
0.00
|
MRChem: MultiResolution Chemistry |
shivupa
|
2020-05-05 19:23 (UTC) |
|
libcint-git
|
4.0.7.r2.ge0cc399-2 |
0 |
0.00
|
General GTO integrals for quantum chemistry |
shivupa
|
2021-02-16 00:24 (UTC) |
|
libcint-cint3
|
3.0.18-1 |
0 |
0.00
|
General GTO integrals for quantum chemistry (cint3 branch) |
orphan
|
2019-08-02 05:29 (UTC) |
|
freemol-svn
|
r158-1 |
0 |
0.00
|
FreeMOL is an assembly of free and open source programs forming a framework for computational chemistry, informatics, structural biology and graphics |
orphan
|
2019-04-16 18:19 (UTC) |
|
avogadro2-bin
|
1.99.0-2 |
0 |
0.00
|
An advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. |
zxp19821005
|
2024-03-08 07:46 (UTC) |