colbyford commited on
Commit
02970c0
1 Parent(s): 2ec65d5

Update app.py

Browse files
Files changed (1) hide show
  1. app.py +43 -2
app.py CHANGED
@@ -1,12 +1,18 @@
 
 
1
  import gradio as gr
 
2
  from evodiff.pretrained import OA_DM_38M, D3PM_UNIFORM_38M, MSA_OA_DM_MAXSUB
3
  from evodiff.generate import generate_oaardm, generate_d3pm
4
  from evodiff.generate_msa import generate_query_oadm_msa_simple
5
- import re
6
  import py3Dmol
 
 
 
 
7
 
8
  def a3m_file(file):
9
-
10
  return "tmp.a3m"
11
 
12
  def make_uncond_seq(seq_len, model_type):
@@ -59,6 +65,41 @@ def display_pdb(path_to_pdb):
59
  allowpaymentrequest="" frameborder="0" srcdoc='{x}'></iframe>"""
60
  '''
61
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
62
  usg_app = gr.Interface(
63
  fn=make_uncond_seq,
64
  inputs=[
 
1
+ import re
2
+ from pathlib import Path
3
  import gradio as gr
4
+
5
  from evodiff.pretrained import OA_DM_38M, D3PM_UNIFORM_38M, MSA_OA_DM_MAXSUB
6
  from evodiff.generate import generate_oaardm, generate_d3pm
7
  from evodiff.generate_msa import generate_query_oadm_msa_simple
8
+
9
  import py3Dmol
10
+ from colabfold.download import download_alphafold_params, default_data_dir
11
+ from colabfold.utils import setup_logging
12
+ from colabfold.batch import get_queries, run, set_model_type
13
+ from colabfold.plot import plot_msa_v2
14
 
15
  def a3m_file(file):
 
16
  return "tmp.a3m"
17
 
18
  def make_uncond_seq(seq_len, model_type):
 
65
  allowpaymentrequest="" frameborder="0" srcdoc='{x}'></iframe>"""
66
  '''
67
 
68
+ def predict_protein(sequence):
69
+ model_type = "alphafold2_ptm"
70
+ download_alphafold_params(model_type, Path("."))
71
+ results = run(
72
+ queries=queries,
73
+ result_dir=result_dir,
74
+ use_templates=use_templates,
75
+ custom_template_path=custom_template_path,
76
+ num_relax=0,
77
+ msa_mode=msa_mode,
78
+ model_type=model_type,
79
+ num_models=1,
80
+ num_recycles=1,
81
+ recycle_early_stop_tolerance=recycle_early_stop_tolerance,
82
+ num_seeds=num_seeds,
83
+ use_dropout=use_dropout,
84
+ model_order=[1],
85
+ is_complex=False,
86
+ data_dir=Path("."),
87
+ keep_existing_results=False,
88
+ rank_by="auto",
89
+ pair_mode=pair_mode,
90
+ pairing_strategy=pairing_strategy,
91
+ stop_at_score=float(100),
92
+ prediction_callback=prediction_callback,
93
+ dpi=dpi,
94
+ zip_results=False,
95
+ save_all=save_all,
96
+ max_msa=max_msa,
97
+ use_cluster_profile=use_cluster_profile,
98
+ input_features_callback=input_features_callback,
99
+ save_recycles=save_recycles,
100
+ user_agent="colabfold/google-colab-main",
101
+ )
102
+
103
  usg_app = gr.Interface(
104
  fn=make_uncond_seq,
105
  inputs=[