biohub
/

ESMFold2-Fast

protein-structure-prediction

structure-prediction

confidence-estimation

molecular-dynamics

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ebetica commited on 3 days ago

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@@ -60,7 +60,8 @@ from transformers.models.esmfold2.modeling_esmfold2 import ESMFold2Model
 # Ubiquitin (PDB 1UBQ)
 sequence = "MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG"
-model = ESMFold2Model.from_pretrained("biohub/ESMFold2").cuda().eval()
 output = model.infer_protein(sequence, num_loops=3, num_sampling_steps=50)
 print(f"pLDDT mean: {float(output['plddt'].mean()):.3f}, pTM: {float(output['ptm'].mean()):.3f}")

 # Ubiquitin (PDB 1UBQ)
 sequence = "MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG"
+# optionally use "biohub/ESMFold2"
+model = ESMFold2Model.from_pretrained("biohub/ESMFold2-Fast").cuda().eval()
 output = model.infer_protein(sequence, num_loops=3, num_sampling_steps=50)
 print(f"pLDDT mean: {float(output['plddt'].mean()):.3f}, pTM: {float(output['ptm'].mean()):.3f}")