Replace HORM checkpoint with corrected E0 normalization a595531 verified andreasburger commited on 13 days ago
Remove root-level hip_mace files (now under ckpt/) c8d8b90 verified andreasburger commited on 21 days ago
Remove mislabeled mep_150 folder (was rigid proton-slide, not MEP) b4b989e verified andreasburger commited on Jun 23
Add 150-frame rigid proton-slide path (renamed from mislabeled mep_150) 9b3c509 verified andreasburger commited on Jun 23
Add relaxed glycine PT scan (579 xTB-relaxed geometries, wB97X-D3 E/F/H). 55feabb verified andreasburger commited on Jun 20
Add 150-frame glycine proton-transfer MEP (orca_wb97x_631gd_glycine_pt_mep_150) cf64512 verified andreasburger commited on Jun 19