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niklastr/vacuum_peptides

Updated Sep 3 • 160k • 9

niklastr/many_peptides_forces

Updated 3 days ago • 525 • 1

yhayashi1986/PolyOmics

Viewer • Updated Sep 3 • 182k • 1.47k • 19

Kai-Zhu-2001/SelfTICA

Viewer • Updated 13 days ago • 562 • 778

ev-tlt/MACE_finetuning_supplementary

Updated Sep 14 • 786

webxos/ionicocean

Viewer • Updated Aug 27 • 84 • 78 • 2

yzdai/md-trajectories

Updated Feb 25 • 13

AmirMasoud/GMD

Updated May 22 • 1.6k

EscheWang/3dcs-traj-frames

Viewer • Updated 29 days ago • 1,000k • 88

EscheWang/3dcs-traj-energies

Viewer • Updated 29 days ago • 10 • 48

vanib/dipeptide-md-grid8-long

Updated Mar 3 • 7

taseef/BENDER

Updated Aug 30 • 152 • 1

taseef/BENDER_SAMPLE

Updated Aug 30 • 317

anonymous-motif-scaffolding/prosite_functional_motif_scaffolding_benchmark

Viewer • Updated May 7 • 220 • 107

ByteDance-Seed/THEMol

Viewer • Updated May 15 • 20.1M • 18k • 8

LiteFold/SwissSidechain

Viewer • Updated May 27 • 459 • 34

SquareHK/THEMol

Viewer • Updated May 18 • 20.1M • 1.39k

nileshsarkar-ai/protein-folding-experiments

Updated Jun 14 • 18

lamm-mit/keratin-mech-seq-ss-md-properties

Viewer • Updated Jun 6 • 204 • 21

muhammadhasyim/equiv-dens-polythiophene

Updated Jun 8 • 18

muhammadhasyim/equiv-dens-paper-molecules

Updated Jun 8 • 15

LlewynLuo/RNAmd-v1

Updated Jun 9 • 340

comp-genomics-consortium/synthetic-protein-folding-matrices

Updated Jul 23 • 1.34k

ljding94/MLFF_CGMD

Updated Aug 2 • 27

Anny0316/SelfTICA

Updated Jun 20 • 43

AISciLab/ProtMMLM-datasets

Viewer • Updated Jul 5 • 19.7k • 31

niklastr/microsolvated_peptides

Updated Jul 23 • 2.01k • 4

olewinther/dynarepo-multichain

Updated Jul 16 • 688

Kiarash99/GPTMicro-Nanowire-Sintering

Viewer • Updated Jul 15 • 8.4k • 21

niklastr/solvated_peptides

Updated Aug 22 • 1.38k • 3