a | b/examples/affinity/conda.yml | ||
---|---|---|---|
1 | name: paccmann_predictor |
||
2 | channels: |
||
3 | - https://conda.anaconda.org/rdkit |
||
4 | dependencies: |
||
5 | - rdkit=2019.03.1 |
||
6 | - python>=3.7,<3.8 |
||
7 | - pip>=19.1 |
||
8 | - pip: |
||
9 | - pytoda @ git+https://github.com/PaccMann/paccmann_datasets@0.2.4 |
||
10 | - numpy>=1.14.3 |
||
11 | - scipy>=1.3.1 |
||
12 | - torch>=1.3.0 |