molecular-features

There are 0 repository under molecular-features topic.

• patonlab / DBSTEP

  DBSTEP: DFT-based Steric Parameters - python-based tool to extract molecular shape and steric descriptors from essentially any structure format

  steric-parameterscclibsterimol-parametersdftmolecular-features
  Language:Python 47

• digital-chemistry-laboratory / libconeangle

  Library for calculating exact ligand cone angles

  quantum-chemistryligandsmolecular-features
  Language:Fortran 12

• rlaplaza / libarvo

  Library to compute molecular surfaces and volumes.

  molecular-featuresmolecular-modelingquantum-chemistry
  Language:Fortran 6