Project description

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

Project details

These details have not been verified by PyPI

Project links

Homepage

Release history Release notifications | RSS feed

This version

0.0.2

Dec 7, 2021

0.0.1

Oct 14, 2020

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 hashes)

Uploaded Dec 7, 2021 Source

Built Distribution

torchmd_cg-0.0.2-py3-none-any.whl (6.6 kB view hashes)

Uploaded Dec 7, 2021 Python 3

Hashes for torchmd_cg-0.0.2.tar.gz

Hashes for torchmd_cg-0.0.2.tar.gz
Algorithm	Hash digest
SHA256	`42dc51c68d3eb9bd56d546192a923071791248adc95c87e9d28509b7a9df759b`
MD5	`8f8036b6f4f21c04164a27bdc5a57c03`
BLAKE2b-256	`30194111e6c34577012525e0bc11ce290cfb7aa1d3c406fa0e6d083d6dd91b48`

Hashes for torchmd_cg-0.0.2-py3-none-any.whl

Hashes for torchmd_cg-0.0.2-py3-none-any.whl
Algorithm	Hash digest
SHA256	`11f72352b988b24ba71d7e8cf0f3471f1fc135b88d71668667826bae2ca8c5d0`
MD5	`8a8575f0bed55a8905eb0446d98326dd`
BLAKE2b-256	`3a46850daf90b4b2b043e41e4a096f4f41ac0553b92aea23bfe7f232f56867ea`