method-quantum

Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

status-active lang-python lang-cpp task-visualization domain-cheminformatics task-file-io task-structure-analysis method-chemoinformatics entity-small-molecule interface-api status-published status-packaged-pypi role-toolkit scope-swissknife entity-crystal domain-computational-chemistry method-quantum

Updated Jul 30, 2026
C++

Scindices / pyscf--pyscf

Star

Python module for quantum chemistry

status-active lang-python lang-c entity-small-molecule interface-api status-published status-packaged-pypi status-packaged-conda scope-focused role-toolkit entity-crystal domain-computational-chemistry task-quantum-chemistry method-quantum lang-fortran

Updated Jul 27, 2026
Python

Scindices / MolSSI--QCElemental

Star

Periodic table, physical constants, and molecule parsing for quantum chemistry.

status-active role-library lang-python task-file-io method-chemoinformatics entity-small-molecule interface-api status-published status-packaged-pypi status-packaged-conda scope-focused domain-computational-chemistry task-quantum-chemistry method-quantum

Updated Jul 28, 2026
Python

Improve this page

Add a description, image, and links to the method-quantum topic page so that developers can more easily learn about it.

Curate this topic

Add this topic to your repo

To associate your repository with the method-quantum topic, visit your repo's landing page and select "manage topics."

Learn more