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basic.yml
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basic.yml
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name: basic
channels:
- conda-forge
- bioconda
dependencies:
- python=3.11
- pip
- libsodium
- ipykernel
- ipympl
- ipython
- jupyter
- jupyterlab
- nb_conda_kernels
- openpyxl=3.1.0
- pip:
- arviz
- git+https://github.com/bp-kelley/descriptastorus
- jax==0.4.23
- https://storage.googleapis.com/jax-releases/cuda12/jaxlib-0.4.23+cuda12.cudnn89-cp311-cp311-manylinux2014_x86_64.whl
- nvidia-cudnn-cu12==8.9.2.26
- tensorrt
- tensorflow
- tensorflow-probability
- tensorflow_ranking
- optax
- pymc
- matplotlib
- nvidia-cudnn-cu12==8.9.2.26
- numpy
- optax
- pandas
- patsy
- rdkit
- safe-mol
- scikit-learn
- splito
- tensorrt
- tensorflow
- torch
- transformers
- tqdm
- umap-learn