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make sure readme runs
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README.md

Lines changed: 5 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -26,7 +26,6 @@ from alphafold3_pytorch import Alphafold3
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alphafold3 = Alphafold3(
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dim_atom_inputs = 77,
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dim_additional_residue_feats = 33,
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dim_template_feats = 44
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)
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@@ -38,12 +37,13 @@ atom_seq_len = seq_len * 27
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atom_inputs = torch.randn(2, atom_seq_len, 77)
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atom_lens = torch.randint(0, 27, (2, seq_len))
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atompair_feats = torch.randn(2, atom_seq_len, atom_seq_len, 16)
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additional_residue_feats = torch.randn(2, seq_len, 33)
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additional_residue_feats = torch.randn(2, seq_len, 10)
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template_feats = torch.randn(2, 2, seq_len, seq_len, 44)
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template_mask = torch.ones((2, 2)).bool()
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msa = torch.randn(2, 7, seq_len, 64)
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msa_mask = torch.ones((2, 7)).bool()
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# required for training, but omitted on inference
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@@ -65,6 +65,7 @@ loss = alphafold3(
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atompair_feats = atompair_feats,
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additional_residue_feats = additional_residue_feats,
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msa = msa,
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msa_mask = msa_mask,
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templates = template_feats,
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template_mask = template_mask,
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atom_pos = atom_pos,
@@ -84,10 +85,11 @@ sampled_atom_pos = alphafold3(
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num_recycling_steps = 4,
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num_sample_steps = 16,
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atom_inputs = atom_inputs,
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atom_mask = atom_mask,
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residue_atom_lens = atom_lens,
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atompair_feats = atompair_feats,
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additional_residue_feats = additional_residue_feats,
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msa = msa,
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msa_mask = msa_mask,
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templates = template_feats,
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template_mask = template_mask
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)

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