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delete FASTAs from chai1.py
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arogozhnikov committed Sep 10, 2024
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22 changes: 0 additions & 22 deletions chai_lab/chai1.py
Original file line number Diff line number Diff line change
Expand Up @@ -169,28 +169,6 @@ def load_exported(comp_key: str, device: torch.device) -> torch.nn.Module:
# Config


# Load input fasta
example_fasta1 = """>protein|7WJ3_A
AGSHSMRYFSTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASPRGEPRAPWVEQEGPEYWDRETQKYKRQAQTDRVSLRNLRGYYNQSEAGSHTLQWMFGCDLGPDGRLLRGYDQSAYDGKDYIALNEDLRSWTAADTAAQITQRKWEAAREAEQRRAYLEGTCVEWLRRYLENGKETLQRAEHPKTHVTHHPVSDHEATLRCWALGFYPAEITLTWQWDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPEPLTLRWEP
"""

example_fasta2 = """>protein|protein-one
[ACE]GE[AIB][AIB][AIB][AIB]KE[AIB][AIB][AIB][AIB]KE[AIB][AIB][AIB][AIB]KE[AIB][AIB][AIB][AIB]K[AIB][AIB][AIB]WKG[NH2]
>protein|protein-two
[KCJ][SEP][PPN][B3S][BAL][PPN]K[NH2]
>ligand|8HA0_J||prot-7VVJ_F|prot-8HAO_H
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
>protein|7WJ3_A||prot-7SR4_A|prot-short-GAAL
AGSHSMRYFSTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASPRGEPRAPWVEQEGP
>ligand|some-smiles
CC
>rna|some-rna
AUGCGAUACGUA
>dna|some-dna
ATGCGTACGTAC
"""


class DiffusionConfig:
S_churn: float = 80
S_tmin: float = 4e-4
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