Machine learning for chemistry
Project description
MLChem
MLChem is machine-learning for chemistry.
This package is written in Python, and features:
- PyTorch backend.
- GPU support.
- ASE interface.
- Completely modular. You can use any part in your project.
- Free software <3. No secrets! Pull requests and additions more than welcome!
- Good documentation (I hope!).
- Explicit and idiomatic:
mlchem.get_me_a_coffee()
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
mlchem-0.0.0.tar.gz
(11.4 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
mlchem-0.0.0-py3-none-any.whl
(27.1 kB
view details)
File details
Details for the file mlchem-0.0.0.tar.gz.
File metadata
- Download URL: mlchem-0.0.0.tar.gz
- Upload date:
- Size: 11.4 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/1.13.0 pkginfo/1.5.0.1 requests/2.21.0 setuptools/40.8.0 requests-toolbelt/0.8.0 tqdm/4.30.0 CPython/3.7.2+
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
841af7b96e08527538f06ccfe62d2e1a55706ae83038c0f19c22fd4b7c9ca5b1
|
|
| MD5 |
a917acc787d656d4d639fbd3a0f0b69b
|
|
| BLAKE2b-256 |
5f27075d7ce483b52140a7eb72368c55908969110088298f999e8610270d4950
|
File details
Details for the file mlchem-0.0.0-py3-none-any.whl.
File metadata
- Download URL: mlchem-0.0.0-py3-none-any.whl
- Upload date:
- Size: 27.1 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/1.13.0 pkginfo/1.5.0.1 requests/2.21.0 setuptools/40.8.0 requests-toolbelt/0.8.0 tqdm/4.30.0 CPython/3.7.2+
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
7a7dec1e4c6b7178189a33b79e14dd93186e576bae43068528e0cf5f2a954b95
|
|
| MD5 |
89da400e8316f738e10ec0db78a02431
|
|
| BLAKE2b-256 |
edbc4c53c3e61bf36acfe5a6f957ddf9b1a4c4f9d4940cb7e4f9a759b1a68d11
|
