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
chemtsv2-0.9.13.tar.gz
(25.3 kB
view details)
Built Distribution
chemtsv2-0.9.13-py3-none-any.whl
(25.4 kB
view details)
File details
Details for the file chemtsv2-0.9.13.tar.gz.
File metadata
- Download URL: chemtsv2-0.9.13.tar.gz
- Upload date:
- Size: 25.3 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/4.0.1 CPython/3.7.11
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 8f7bc4bb9a90196b81ee772ff96370a0dd2c4b3b23457414397e4aa87ce68728 |
|
| MD5 | c1dc2c470ba1e04c4420dc3ae193aa01 |
|
| BLAKE2b-256 | defe4d9182f8186b8c5d9105ee485062ba4315f7b51e9cd6d28d30bbd33afc22 |
File details
Details for the file chemtsv2-0.9.13-py3-none-any.whl.
File metadata
- Download URL: chemtsv2-0.9.13-py3-none-any.whl
- Upload date:
- Size: 25.4 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 | 8b9e2d8cf16bd32b57d7af4eae776bab324e243d1f3924adfbb2d258ffc846a5 |
|
| MD5 | 710492912dc0efd71cd0c1a2e95b1c2f |
|
| BLAKE2b-256 | 1473445b89c6030b98be10f4b1f03a72b33bd01cb75a1bfe903cf1348faa4fc5 |
