Olamide Isreal
a3ffec6a07
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59 lines
1.8 KiB
YAML
59 lines
1.8 KiB
YAML
name: flowdock
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channels:
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- pyg
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- pytorch
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- nvidia
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- defaults
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- conda-forge
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dependencies:
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- mendeleev=0.20.1=pymin39_ha308f57_3
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- networkx=3.4.2=pyh267e887_2
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- python=3.10.16=he725a3c_1_cpython
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- pytorch=2.2.1=py3.10_cuda11.8_cudnn8.7.0_0
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- pytorch-cuda=11.8=h7e8668a_6
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- pytorch-mutex=1.0=cuda
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- pytorch-scatter=2.1.2=py310_torch_2.2.0_cu118
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- rdkit=2024.09.6=py310hcd13295_0
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- scikit-learn=1.6.1=py310h27f47ee_0
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- scipy=1.15.2=py310h1d65ade_0
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- torchaudio=2.2.1=py310_cu118
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- torchtriton=2.2.0=py310
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- torchvision=0.17.1=py310_cu118
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- tqdm=4.67.1=pyhd8ed1ab_1
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- pip:
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- beartype==0.20.0
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- biopandas==0.5.1
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- biopython==1.79
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- biotite==1.1.0
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- git+https://github.com/NVIDIA/dllogger.git@0540a43971f4a8a16693a9de9de73c1072020769
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- dm-tree==0.1.9
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- einops==0.8.1
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- fair-esm==2.0.0
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- fairscale==0.4.13
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- gemmi==0.7.0
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- hydra-colorlog==1.2.0
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- hydra-core==1.3.2
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- hydra-optuna-sweeper==1.2.0
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- lightning==2.5.0.post0
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- lightning-utilities==0.14.1
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- lovely-numpy==0.2.13
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- lovely-tensors==0.1.18
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- ml-collections==1.0.0
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- msgpack==1.1.0
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- msgpack-numpy==0.4.8
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- numpy==1.26.4
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- omegaconf==2.3.0
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- git+https://github.com/amorehead/openfold.git@fe1275099639bf7e617e09ef24d6af778647dd64
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- pandas==2.2.3
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- plinder==0.2.24
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- plotly==6.0.0
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- posebusters==0.2.13
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# - prody==2.4.1 # NOTE: we must `pip` install Prody to skip its NumPy dependency
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- pytorch-lightning==2.5.0.post0
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- git+https://github.com/facebookresearch/pytorch3d.git@3da7703c5ac10039645966deddffe8db52eab8c5
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- rich==13.9.4
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- rootutils==1.0.7
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- seaborn==0.13.2
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- torchmetrics==1.6.3
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- wandb==0.19.8
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