OpenFreeEnergy / OpenFreeEnergy/openfe
add experimental data input to cli gather
Open
Nobody has claimed this yet.
- Dominant language
- Python
- Stars
- 331
- Forks
- 56
- Avg merge
- 3d 9h
- Merged PRs (30d)
- 13
Description
optionally, should be able to also ingest some experimental data to MLE estimates from openfe gather to improve accuracy of results
Contributor guide
First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Research direction
Start by reading the openfe gather CLI entry point and the code that computes MLE estimates. Clarify the experimental-data input format and how it should be incorporated; done means gather can optionally ingest that data and produce more accurate results, with coverage for the new behavior.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- cli
- Issue type
- Feature
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100