torchmd-cg
Installation
conda create -n torchmd_cg
conda activate torchmd_cg
conda install pytorch torchvision cudatoolkit=10.1 -c pytorch
conda install pyyaml ipython scikit-learn tqdm
pip install pytorch-lightning
pip install torchmd-cg
Usage
pip install moleculekit
conda install seaborn pandas jupyter
Check the jupyter notebook in the tutorial folder
2 maintainers
Metadata
2 maintainers
Release files for torchmd-cg 0.0.2
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| torchmd_cg-0.0.2.tar.gz | 6.1 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| torchmd_cg-0.0.2-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 12.7 kB
Release files / torchmd_cg-0.0.2.tar.gz
| Download URL | torchmd_cg-0.0.2.tar.gz |
|---|---|
| Size | 6.1 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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twine/3.7.0 importlib_metadata/4.8.2 pkginfo/1.8.2 requests/2.26.0 requests-toolbelt/0.9.1 tqdm/4.62.3 CPython/3.10.0
|
Release files / torchmd_cg-0.0.2-py3-none-any.whl
| Download URL | torchmd_cg-0.0.2-py3-none-any.whl |
|---|---|
| Size | 6.6 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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twine/3.7.0 importlib_metadata/4.8.2 pkginfo/1.8.2 requests/2.26.0 requests-toolbelt/0.9.1 tqdm/4.62.3 CPython/3.10.0
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