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fix style pt.2
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SobhanMP committed Feb 6, 2024
1 parent cc13ae6 commit a4d467b
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Showing 2 changed files with 4 additions and 4 deletions.
2 changes: 1 addition & 1 deletion src/gflownet/data/qm9.py
Original file line number Diff line number Diff line change
Expand Up @@ -53,7 +53,7 @@ def load_tar(xyz_file):
f = tarfile.TarFile(xyz_file, "r")
all_mols = []
for pt in f:
pt = f.extractfile(pt) # type: ignore3
pt = f.extractfile(pt) # type: ignore
data = pt.read().decode().splitlines() # type: ignore
all_mols.append(data[-2].split()[:1] + list(map(float, data[1].split()[2:])))
df = pd.DataFrame(all_mols, columns=["SMILES"] + labels)
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6 changes: 3 additions & 3 deletions src/gflownet/models/bengio2021flow.py
Original file line number Diff line number Diff line change
Expand Up @@ -106,9 +106,9 @@
["c1ncc2nc[nH]c2n1", [2, 6]],
]

"""
18 fragments from "Towards Understanding and Improving GFlowNet Training" by Shen et al. (https://arxiv.org/abs/2305.07170)
"""
# 18 fragments from "Towards Understanding and Improving GFlowNet Training"
# by Shen et al. (https://arxiv.org/abs/2305.07170)

FRAGMENTS_18 = [
["CO", [1, 0]],
["O=c1[nH]cnc2[nH]cnc12", [3, 6]],
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