Project Name	Stars	Repos Using This	Packages Using This	Most Recent Commit	Total Releases	Latest Release	Open Issues	License	Language
Thermo	517	3	12	5 months ago	59	September 17, 2023	8	mit	Python
Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
Geom3d	75			3 months ago	1	August 09, 2023	3	mit	Python
Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
Mcmd	74			3 months ago			39	gpl-3.0	C++
Monte Carlo and Molecular Dynamics Simulation Package
Chemcoord	58	1		8 months ago	9	August 04, 2023	11	lgpl-3.0	Python
A python module for manipulating cartesian and internal coordinates.
Hartreefock	41			9 months ago			12	gpl-3.0	C++
A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaussian orbitals
Haskell Abinitio	14			7 years ago				apache-2.0	Haskell
contains a package in Haskell to calculate the electronic structure properties of molecules using the Hartree-Fock method
Vqmcmolecule	11			9 months ago			3	gpl-3.0	C++
Variational Quantum Monte Carlo for a molecule, using Fokker-Planck/Langevin approach
Mbtr	6			a year ago				mit	Jupyter Notebook
A code for calculating MBTR molecule/crystal structure representation. (https://arxiv.org/abs/1704.06439)

Alternatives To Chemcoord

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Thermo ⭐ 517

Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)

dependent packages 12total releases 59most recent commit 5 months ago

Geom3d ⭐ 75

Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023

total releases 1most recent commit 3 months ago

Mcmd ⭐ 74

Monte Carlo and Molecular Dynamics Simulation Package

most recent commit 3 months ago

Chemcoord ⭐ 58

A python module for manipulating cartesian and internal coordinates.

total releases 9most recent commit 8 months ago

Hartreefock ⭐ 41

A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaussian orbitals

most recent commit 9 months ago

Haskell Abinitio ⭐ 14

contains a package in Haskell to calculate the electronic structure properties of molecules using the Hartree-Fock method

most recent commit 7 years ago

Vqmcmolecule ⭐ 11

Variational Quantum Monte Carlo for a molecule, using Fokker-Planck/Langevin approach

most recent commit 9 months ago

Mbtr ⭐ 6

A code for calculating MBTR molecule/crystal structure representation. (https://arxiv.org/abs/1704.06439)

most recent commit a year ago

Suggest An Alternative To chemcoord

Alternative Project Comparisons

Chemcoord vs Thermo

Chemcoord vs Geom3d

Chemcoord vs Mcmd

Chemcoord vs Hartreefock

Chemcoord vs Haskell Abinitio

Chemcoord vs Vqmcmolecule

Chemcoord vs Mbtr

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