Add inference_speed.zip (repack/rename of scaling dataset)

Remove orphaned sampling.zip (data merged into folding_stability.zip) (#27)

Update folding_stability.zip: villin + shared sampling data (flat layout) (#26)

feat: add reference unsolvated villin (#25)

fix: villin pdb file name (#24)

Use equilibriated CCl4 (#23)

Update molecular liquids (#22)

Upload nve_energy_conservation.zip (#20)

Upload folding_stability.zip (#19)

feat: add folmsbee to conformer selection (#17)

feat: rename small molecule minimization -> reference geometry stability

update-biomolecules (#15)

Upload sampling.zip

Upload nudged_elastic_band.zip (#12)

Upload bond_length_distribution.zip (#14)

Upload folding_stability.zip (#10)

Upload stability.zip (#11)

Upload bond length, ring planarity and small molecule minimization (#13)

Upload tautomers.zip

Upload tautomers.zip

Upload sampling.zip (#6)

Upload noncovalent_interactions.zip

Upload scaling.zip

Upload stability.zip

Upload reactivity.zip

Upload solvent_radial_distribution.zip

Upload water_radial_distribution.zip

Upload bond_length_distribution.zip

Upload noncovalent_interactions.zip (#5)

Upload folding_stability.zip

Upload folding_stability.zip

Delete folding.zip

Update small_mole_min.zip

Upload small_molecule_minimization.zip

Upload folding.zip

Upload ring_planarity.zip

Upload folding.zip

Upload tautomers.zip

Upload tautomers.zip

Upload dihedral_scan.zip

Delete dihedral_scan.zip

Upload conformer_selection.zip

Delete conformer_selection.zip

Upload dihedral_scan.zip

Rename small_molecule_conformer_selection.zip to conformer_selection.zip

Upload dihedral_scan.zip (#4)

Create README.md (#3)

Upload small_molecule_conformer_selection.zip

Upload small_molecule_conformer_selection.zip

initial commit