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Fixing remaining issues in README #106

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frostedoyster merged 1 commit into from
Mar 2, 2026
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Fixing remaining issues in README #106

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6 changes: 3 additions & 3 deletions README.md
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Expand Up @@ -101,7 +101,7 @@ Currently, we provide the following pre-trained models:

| Name | Level of theory | Available sizes | To be used for | Training set |
|:------------|:-----------------------:|:----------------------:|:-----------------------:|:---------------------:|
| PET-MAD | r2SCAN | XS, S | <span title="Supported elements: H, He, Li, Be, B, C, N, O, F, Ne, Na, Mg, Al, Si, P, S, Cl, Ar, K, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ga, Ge, As, Se, Br, Kr, Rb, Sr, Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Ag, Cd, In, Sn, Sb, Te, I, Xe, Cs, Ba, La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Hf, Ta, W, Re, Os, Ir, Pt, Au, Hg, Tl, Pb, Bi, Po, At, Rn, Fr, Ra, Ac, Th, Pa, U, Np, Pu, Am, Cm, Bk, Cf, Es, Fm, Md, No">materials&nbsp;&&nbsp;molecules<br>(102 elements)</span> | OMat -> MAD-1.5 |
| PET-MAD-1.5 | r2SCAN | XS, S | <span title="Supported elements: H, He, Li, Be, B, C, N, O, F, Ne, Na, Mg, Al, Si, P, S, Cl, Ar, K, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ga, Ge, As, Se, Br, Kr, Rb, Sr, Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Ag, Cd, In, Sn, Sb, Te, I, Xe, Cs, Ba, La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Hf, Ta, W, Re, Os, Ir, Pt, Au, Hg, Tl, Pb, Bi, Po, At, Rn, Fr, Ra, Ac, Th, Pa, U, Np, Pu, Am, Cm, Bk, Cf, Es, Fm, Md, No">materials&nbsp;&&nbsp;molecules<br>(102 elements)</span> | OMat -> MAD-1.5 |
| PET-OAM | PBE (Materials Project) | L, XL | <span title="Supported elements: H, He, Li, Be, B, C, N, O, F, Ne, Na, Mg, Al, Si, P, S, Cl, Ar, K, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ga, Ge, As, Se, Br, Kr, Rb, Sr, Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Ag, Cd, In, Sn, Sb, Te, I, Xe, Cs, Ba, La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Hf, Ta, W, Re, Os, Ir, Pt, Au, Hg, Tl, Pb, Bi, Ac, Th, Pa, U, Np, Pu">materials&nbsp;(89&nbsp;elements)</span> | OMat -> sAlex+MPtrj |
| PET-OMat | PBE | XS, S, M, L, XL | <span title="Supported elements: H, He, Li, Be, B, C, N, O, F, Ne, Na, Mg, Al, Si, P, S, Cl, Ar, K, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ga, Ge, As, Se, Br, Kr, Rb, Sr, Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Ag, Cd, In, Sn, Sb, Te, I, Xe, Cs, Ba, La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Hf, Ta, W, Re, Os, Ir, Pt, Au, Hg, Tl, Pb, Bi, Ac, Th, Pa, U, Np, Pu">materials&nbsp;(89&nbsp;elements)</span> | OMat |
| PET-OMATPES | r2SCAN | L | <span title="Supported elements: H, He, Li, Be, B, C, N, O, F, Ne, Na, Mg, Al, Si, P, S, Cl, Ar, K, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ga, Ge, As, Se, Br, Kr, Rb, Sr, Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Ag, Cd, In, Sn, Sb, Te, I, Xe, Cs, Ba, La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Hf, Ta, W, Re, Os, Ir, Pt, Au, Hg, Tl, Pb, Bi, Ac, Th, Pa, U, Np, Pu">materials&nbsp;(89&nbsp;elements)</span> | OMat -> MATPES |
Expand All @@ -119,8 +119,8 @@ expected to have worse performance than the models listed above.

| Name | Level of theory | Available sizes | To be used for | Training set |
|:------------|:-----------------------:|:----------------------:|:-----------------------:|:---------------------:|
| PET-MAD-1 | PBESol | S | materials and molecules | MAD-1.0 |
| PET-OMAD | PBESol | XS, S, L | materials | OMat -> MAD-1.0 |
| PET-MAD-1 | PBESol | S | <span title="Supported elements: H, He, Li, Be, B, C, N, O, F, Ne, Na, Mg, Al, Si, P, S, Cl, Ar, K, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ga, Ge, As, Se, Br, Kr, Rb, Sr, Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Ag, Cd, In, Sn, Sb, Te, I, Xe, Cs, Ba, La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Hf, Ta, W, Re, Os, Ir, Pt, Au, Hg, Tl, Pb, Bi, Po, Rn">materials&nbsp;&&nbsp;molecules<br>(85 elements)</span> | MAD-1.0 |
| PET-OMAD | PBESol | XS, S, L | <span title="Supported elements: H, He, Li, Be, B, C, N, O, F, Ne, Na, Mg, Al, Si, P, S, Cl, Ar, K, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ga, Ge, As, Se, Br, Kr, Rb, Sr, Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Ag, Cd, In, Sn, Sb, Te, I, Xe, Cs, Ba, La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Hf, Ta, W, Re, Os, Ir, Pt, Au, Hg, Tl, Pb, Bi, Po, Rn">materials&nbsp;&&nbsp;molecules<br>(85 elements)</span> | OMat -> MAD-1.0 |

All the checkpoints are available on the [HuggingFace repository](https://huggingface.co/lab-cosmo/upet).

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