Scientific Software
Updated 6 months ago

BioPandas — Peer-reviewed • Rank 12.5 • Science 49%

BioPandas: Working with molecular structures in pandas DataFrames - Published in JOSS (2017)

Updated 6 months ago

atomium • Rank 6.4 • Science 36%

Python macromolecular parsing (with .pdb/.cif/.mmtf parsing and production)

Updated 6 months ago

https://github.com/alexriss/chemfilesviewer.jl • Rank 3.9 • Science 26%

Julia library to visualize molecules and other chemical structures

Updated 6 months ago

densegastoolbox • Science 44%

Calculate density and temperature from observed molecular lines (CO, HCN, HNC, HCO+ etc)

Updated 6 months ago

mlip-arena • Science 67%

Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics https://openreview.net/forum?id=ysKfIavYQE