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lang-fortran

Here are 3 public repositories matching this topic...

Scindices / grimme-lab--xtb

Semiempirical Extended Tight-Binding Program Package

status-active interface-cli role-application entity-small-molecule interface-api status-published status-packaged-pypi status-packaged-conda scope-focused entity-crystal task-charge-assignment domain-computational-chemistry task-quantum-chemistry method-quantum lang-fortran

Updated Jul 13, 2026
Fortran

Scindices / pyscf--pyscf

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 / m3g--packmol

Packmol - Initial configurations for molecular dynamics simulations

status-active lang-python interface-cli role-application entity-protein entity-small-molecule status-published status-packaged-pypi status-packaged-conda scope-focused method-physics domain-molecular-simulation task-structure-prep task-system-model entity-crystal lang-fortran

Updated May 27, 2026
Fortran

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