bytedance / bytedance/byteff

Examples about generating torsional potential surfaces and equilibrium conformations for compounds in the paper

Open
#3 0 comments 0 reactions 0 assignees View on GitHub
Dominant language
Python
Stars
88
Forks
18
PR merge metrics
No merged PRs in 30d

Description

Thanks for your amazing work. Is it possible for you to disclose some code examples about how to generate torsional potential surfaces and equilibrium conformations for compounds in the paper?

Contributor guide

No contributing guide indexed for this repository

Research direction

No file, test, compound, or entry point is named. Start by locating the Python workflow used for torsional potential surfaces and equilibrium conformations, then use a compound from the paper to create runnable examples and document the expected outputs.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
documentation
Issue type
Documentation
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
25/100

Get new issues in your inbox

A short digest of beginner-friendly GitHub issues.