Scientific Software
Updated 6 months ago
BioPandas
BioPandas: Working with molecular structures in pandas DataFrames - Published in JOSS (2017)
Scientific Software · Peer-reviewed
Updated 6 months ago
https://github.com/alexriss/chemfilesviewer.jl
Julia library to visualize molecules and other chemical structures
Updated 6 months ago
densegastoolbox
Calculate density and temperature from observed molecular lines (CO, HCN, HNC, HCO+ etc)
Updated 6 months ago
mlip-arena
Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics https://openreview.net/forum?id=ysKfIavYQE