Name		Name	Last commit message	Last commit date
parent directory ..
systems		systems
README.md		README.md
benchmark_speed.ipynb		benchmark_speed.ipynb
graph_network.ipynb		graph_network.ipynb
inference.py		inference.py
neighbors.py		neighbors.py

README.md

Benchmarks

A collection of scripts and systems for performance benchmarks.

Systems

alaninde_dipeptide -- a small peptide (22 atoms)
testosterone -- a hormone (49 atoms)
chignolin -- 10-residue protein (166 atoms)
dhfr -- 159-residue protein (2489 atoms)
factorIX -- 378-residue protein (5807 atoms)
stmv -- 9769-nucleotide virus (30327 atoms)