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Update README.md
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floatingCatty authored Jul 2, 2024
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Expand Up @@ -67,25 +67,25 @@ Gu, Qiangqiang, et al. "DeePTB: A deep learning-based tight-binding approach wit
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## Full Dependencies
python = ">=3.8"
pytest = ">=7.2.0"
pytest-order = "1.2.0"
numpy = "*"
scipy = "1.9.1"
spglib = "*"
matplotlib = "*"
torch = ">=1.13.0"
ase = "*"
pyyaml = "*"
future = "*"
dargs = "0.4.4"
xitorch = "0.3.0"
fmm3dpy = "1.0.0"
e3nn = ">=0.5.1"
torch-runstats = "0.2.0"
torch_scatter = "2.1.2"
torch_geometric = ">=2.4.0"
opt-einsum = "3.3.0"
h5py = "3.7.0"
lmdb = "1.4.1"
- python = ">=3.8"
- pytest = ">=7.2.0"
- pytest-order = "1.2.0"
- numpy = "*"
- scipy = "1.9.1"
- spglib = "*"
- matplotlib = "*"
- torch = ">=1.13.0"
- ase = "*"
- pyyaml = "*"
- future = "*"
- dargs = "0.4.4"
- xitorch = "0.3.0"
- fmm3dpy = "1.0.0"
- e3nn = ">=0.5.1"
- torch-runstats = "0.2.0"
- torch_scatter = "2.1.2"
- torch_geometric = ">=2.4.0"
- opt-einsum = "3.3.0"
- h5py = "3.7.0"
- lmdb = "1.4.1"

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