Topic: "molecular-features"
patonlab/DBSTEP
DBSTEP: DFT-based Steric Parameters - python-based tool to extract molecular shape and steric descriptors from essentially any structure format
Language: Python - Size: 331 MB - Last synced at: 18 days ago - Pushed at: 7 months ago - Stars: 54 - Forks: 9
digital-chemistry-laboratory/libconeangle
Library for calculating exact ligand cone angles
Language: Fortran - Size: 74.2 KB - Last synced at: about 13 hours ago - Pushed at: almost 3 years ago - Stars: 13 - Forks: 1
rlaplaza/libarvo
Library to compute molecular surfaces and volumes.
Language: Fortran - Size: 94.7 KB - Last synced at: 20 days ago - Pushed at: over 2 years ago - Stars: 6 - Forks: 0
