Ecosyste.ms: Packages

An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.

pypi.org "pyscf" keyword

aiida-pyscf 0.5.1

AiiDA plugin for the Python-based Simulations of Chemistry Framework (PySCF).
8 versions - Latest release: 5 months ago - 296 downloads last month - 19 stars on GitHub - 1 maintainer

pyautomr 0.3.0rc12

Automatic MR based on PySCF
5 versions - Latest release: over 1 year ago - 40 downloads last month - 9 stars on GitHub - 1 maintainer

tencirchem 0.0.1

Efficient quantum computational chemistry based on TensorCircuit
4 versions - Latest release: about 1 year ago - 25 downloads last month - 52 stars on GitHub - 1 maintainer

Top 10.0% on pypi.org

dftd4 3.6.0

Python API of the DFT-D4 project
3 versions - Latest release: 3 months ago - 3 dependent packages - 1 dependent repositories - 496 downloads last month - 140 stars on GitHub - 2 maintainers

block2-mpi 0.5.2

An efficient MPO implementation of DMRG for quantum chemistry.
17 versions - Latest release: 7 months ago - 1 dependent repositories - 476 downloads last month - 56 stars on GitHub - 1 maintainer

block2 0.5.2

An efficient MPO implementation of DMRG for quantum chemistry.
23 versions - Latest release: 7 months ago - 2 thousand downloads last month - 56 stars on GitHub - 1 maintainer

Qiskit Nature PySCF: Third-party integration plugin of Qiskit Nature + PySCF.
5 versions - Latest release: 3 months ago - 1 dependent repositories - 227 downloads last month - 16 stars on GitHub - 1 maintainer

dftd3 0.7.0

Python API of the DFT-D3 project
2 versions - Latest release: over 1 year ago - 3 dependent packages - 1 dependent repositories - 171 thousand downloads last month - 43 stars on GitHub - 2 maintainers

Related Keywords

quantum-chemistry 5 computational-chemistry 3 dispersion-correction 2 ase 2 qcschema 2 ab-initio 2 density-matrix-renomalization-group 2 dmrg 2 matrix-product-states 2 mrci 2 chemistry 2 qiskit 1 sdk 1 quantum 1 fortran-package-manager 1 nature 1 physics 1 theoretical-chemistry 1 tensor-network 1 quantum-simulation 1 quantum-noise 1 quantum-computing 1 quantum-circuit 1 python 1 nisq 1 jax 1 cupy 1 workflows 1 aiida 1