ChemTSv2 is a flexible and versatile molecule generator based on reinforcement learning with natural language processing.
Project description
ChemTSv2 is a refined and extended version of ChemTS. The original implementation is available at https://github.com/tsudalab/ChemTS.
It provides:
- easy-to-run interface by using only a configuration file
- easy-to-define framework for users' any reward function, molecular filter, and tree policy
- various usage examples in the GitHub repository
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
chemtsv2-0.9.4.tar.gz
(20.7 kB
view details)
Built Distribution
chemtsv2-0.9.4-py3-none-any.whl
(23.9 kB
view details)
File details
Details for the file chemtsv2-0.9.4.tar.gz.
File metadata
- Download URL: chemtsv2-0.9.4.tar.gz
- Upload date:
- Size: 20.7 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/4.0.1 CPython/3.7.11
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 9123c4cde0c0755096193b85be5fa65f583b3194bd87c648dc3d9df5e3e7565a |
|
| MD5 | ed5128ebab95cb7beca4d9549d8ddc5e |
|
| BLAKE2b-256 | 956acb307130b82c7673db55275e35926a5a6e372eddb157b3b9178aa2ec6a8a |
File details
Details for the file chemtsv2-0.9.4-py3-none-any.whl.
File metadata
- Download URL: chemtsv2-0.9.4-py3-none-any.whl
- Upload date:
- Size: 23.9 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/4.0.1 CPython/3.7.11
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 1577bcb36d5bbc2278923093b8ed814d178da41155549c206210f2f2b3b67140 |
|
| MD5 | d4212feb45f1b5a907db81c4afda5481 |
|
| BLAKE2b-256 | 330b4b6bb1d0f6d84832fe83b4876013a274a3f717bf99051f19815228e46642 |
