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orbmol / examples

229 kB

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History: 4 commits

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Fix: Use UMA's gradio_molecule3d and examples, compile on startup

d4c1ad6 29 days ago

HEA.cif

5.05 kB

Fix: Use UMA's gradio_molecule3d and examples, compile on startup 29 days ago
MOF_CO2.traj

22.7 kB

Fix: Use UMA's gradio_molecule3d and examples, compile on startup 29 days ago
bis(EDA)Cu.xyz

1.46 kB

Fix: Use UMA's gradio_molecule3d and examples, compile on startup 29 days ago
catalyst.traj

10.4 kB

Fix: Use UMA's gradio_molecule3d and examples, compile on startup 29 days ago
cu111_O.traj

1.39 kB

Fix: Use UMA's gradio_molecule3d and examples, compile on startup 29 days ago
cu111_slab.traj

1.35 kB

Fix: Use UMA's gradio_molecule3d and examples, compile on startup 29 days ago
ethylene_carbonate.xyz

512 Bytes

Fix: Use UMA's gradio_molecule3d and examples, compile on startup 29 days ago
gold_nanoparticle_crystal.cif

76 kB

Fix: Use UMA's gradio_molecule3d and examples, compile on startup 29 days ago
inorganic_crystal.cif

3.01 kB

Fix: Use UMA's gradio_molecule3d and examples, compile on startup 29 days ago
metal_cplx.pdb

11.9 kB

Fix: Use UMA's gradio_molecule3d and examples, compile on startup 29 days ago
organic_molecular_crystal.cif

21.4 kB

Fix: Use UMA's gradio_molecule3d and examples, compile on startup 29 days ago
porous_CO2_2H2O.traj

10.5 kB

Fix: Use UMA's gradio_molecule3d and examples, compile on startup 29 days ago
protein.pdb

61 kB

Fix: Use UMA's gradio_molecule3d and examples, compile on startup 29 days ago
pt111_O.traj

1.39 kB

Fix: Use UMA's gradio_molecule3d and examples, compile on startup 29 days ago
pt111_slab.traj

1.32 kB

Fix: Use UMA's gradio_molecule3d and examples, compile on startup 29 days ago