OpenFreeEnergy / OpenFreeEnergy/openfe

Support for trailblazing

Open
#629 0 comments 0 reactions 0 assignees View on GitHub

Nobody has claimed this yet.

Dominant language
Python
Stars
331
Forks
56
Avg merge
3d 9h
Merged PRs (30d)
13

Description

We should eventually add support for thermodynamic trailblazing - this will need some thoughts & work on decoupling units.

Not currently targetted until after the end of year 1.

Contributor guide

Open the contributing guide

First steps

  1. Read the whole issue, then the project's contributing guide.
  2. Comment on the issue to say you are picking it up — it saves two people doing the same work.
  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

Research direction

The issue names no files, tests, or entry points. Start by clarifying what “thermodynamic trailblazing” should support and how units must be decoupled; define the requirements and design before implementation. Done should mean the scope is agreed and support is implemented with appropriate validation.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
tooling
Issue type
Feature
Difficulty
5/5
Estimated time
Over a week
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
20/100

Get new issues in your inbox

A short digest of beginner-friendly GitHub issues.