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
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
torchmd_cg-0.0.2.tar.gz
(6.1 kB
view details)
Built Distribution
Filter files by name, interpreter, ABI, and platform.
If you're not sure about the file name format, learn more about wheel file names.
Copy a direct link to the current filters
File details
Details for the file torchmd_cg-0.0.2.tar.gz.
File metadata
- Download URL: torchmd_cg-0.0.2.tar.gz
- Upload date:
- Size: 6.1 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via:
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
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
42dc51c68d3eb9bd56d546192a923071791248adc95c87e9d28509b7a9df759b
|
|
| MD5 |
8f8036b6f4f21c04164a27bdc5a57c03
|
|
| BLAKE2b-256 |
30194111e6c34577012525e0bc11ce290cfb7aa1d3c406fa0e6d083d6dd91b48
|
File details
Details for the file torchmd_cg-0.0.2-py3-none-any.whl.
File metadata
- Download URL: torchmd_cg-0.0.2-py3-none-any.whl
- Upload date:
- Size: 6.6 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via:
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
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
11f72352b988b24ba71d7e8cf0f3471f1fc135b88d71668667826bae2ca8c5d0
|
|
| MD5 |
8a8575f0bed55a8905eb0446d98326dd
|
|
| BLAKE2b-256 |
3a46850daf90b4b2b043e41e4a096f4f41ac0553b92aea23bfe7f232f56867ea
|
