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hip

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History: 50 commits

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Add hip-uma-energy-force.pt

ac108e2 verified 8 days ago

ckpt
Add original EQV2 checkpoint about 2 months ago
data
Upload folder using huggingface_hub 11 months ago
hip-uma
Add hip-uma-energy-force.pt 8 days ago
orca_wb97x_631gd_chno_30_100
Add ORCA wB97X CHNO Hessian dataset about 2 months ago
orca_wb97x_631gd_glycine_pt_mep_145
Add 145-frame true glycine proton-transfer MEP about 1 month ago
orca_wb97x_631gd_glycine_pt_mep_73
Add glycine proton-transfer MEP DFT dataset about 1 month ago
orca_wb97x_631gd_glycine_pt_nh_oh_scan_1285
Upload folder using huggingface_hub about 1 month ago
orca_wb97x_631gd_glycine_pt_path_n150
Add 150-frame rigid proton-slide path (renamed from mislabeled mep_150) about 1 month ago
orca_wb97x_d3_631gd_glycine_pt_dft_relaxed_579
Upload DFT-relaxed glycine PT dataset about 1 month ago
orca_wb97x_d3_631gd_glycine_pt_relaxed_579
Add relaxed glycine PT scan (579 xTB-relaxed geometries, wB97X-D3 E/F/H). about 1 month ago
.gitattributes

1.65 kB
Upload folder using huggingface_hub 11 months ago
README.md

870 Bytes
Update README.md about 2 months ago