DeepRESIS/environment.yml at main · swallow-design/DeepRESIS · GitHub

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name: deepresis
channels:
  - conda-forge
  - bioconda
  - tmap
dependencies:
  - python=3.9
  - pip
  - setuptools<81
  - wheel
  - r-base=4.3.3
  - r-rcpp
  - r-data.table
  - r-caret
  - r-e1071
  - r-seqinr
  - r-plyr
  - r-proc
  - r-mass
  - r-class
  - r-stringr
  - r-tidyr
  - r-matrix
  - r-survival
  - r-lubridate
  - r-reshape2
  - viennarna
  - tmap=1.0.6
  - zlib
  - make
  - cmake
  - pip:
      - numpy==1.21.6
      - pandas==1.1.5
      - scipy==1.7.3
      - scikit-learn==0.24.0
      - biopython==1.78
      - seaborn==0.9.1
      - joblib
      - tqdm
      - numba==0.56.4
      - openpyxl
      - torch==2.8.0
      - rdkit==2023.3.2
      - molmap==1.3.9.8
      - mordred==1.2.0
      - mhfp==1.9.2
      - rpy2==3.4.1
      - biopandas==0.2.8
      - faerun==0.4.7
      - gdown==4.4.0
      - colored==1.3.93
      - colorlog==4.0.2
      - lapjv==1.3.27
      - python-highcharts==0.4.2
      - tensorflow==2.9.1
      - tensorflow-gpu==2.9.1
      - umap-learn==0.3.10
      - pytest