def emergency_read_checkpoint(self):
import glob
for name, the_net in self.checkpoint_names.items():
if isinstance(the_net, torch.nn.DataParallel):
the_net = the_net.module
files = glob.glob(f"{self.ctx.path}-{name}-epoch-*.torch")
files = sorted(files,
key=lambda x: int(x.split("-")[-1].split(".")[0]))
target = files[-1]
netread(the_net, target)
import sys
import os
import time
from pyrosetta import *
from torchsupport.data.io import netread
from protsupport.protocols.minimization_packing.design import (
NetPackMover, AnnealedNetPackMover)
from protsupport.modules.baseline import Baseline
if __name__ == "__main__":
init("-mute all")
pose = pose_from_file(sys.argv[1])
net = Baseline(aa_size=20, in_size=39, hidden_size=100, neighbours=15)
netread(net, sys.argv[3])
net.eval()
fixed_path = sys.argv[2]
with open(fixed_path) as fx:
fix_list = []
for line in fx:
fix_list.append(int(line.strip()))
fix_list = sorted(list(set(fix_list)))
scorefxn = get_fa_scorefxn()
mover = NetPackMover(net,
pose,
fix=fix_list,
glycinate=True,
scorefxn=scorefxn,
kT=0.1,
max_iter=1000)