File size: 736 Bytes
f12d3b3 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 | name: defog
channels:
- conda-forge
- nvidia
- pytorch
dependencies:
- python=3.9
- rdkit=2023.03.2
- graph-tool=2.45
- pytorch==2.4.0
- pytorch-cuda=12.1
- psi4=1.9.1
- pip=24.2
- pip:
- ipykernel==6.29.5
- hydra-core==1.3.2
- imageio==2.31.1
- matplotlib==3.7.1
- networkx==2.8.7
- numpy==1.23
- omegaconf==2.3.0
- overrides==7.3.1
- pandas==1.4
- pyemd==1.0.0
- PyGSP==0.5.1
- pytorch_lightning==2.0.4
- scipy==1.11.0
- setuptools==68.0.0
- torch_geometric==2.3.1
- torchmetrics==0.11.4
- tqdm==4.65.0
- wandb==0.15.4
- seaborn==0.13.2
- gpustat==0.6.0
- black==24.3.0
- -e .
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