With this release, we include a new home for OpenFold documentation located at: https://openfold.readthedocs.io/.
We hope that the guides provided in the documentation will help users with common workflows, as well as issues that commonly occur.
A few quality of life changes are also included:
- Adds scripts for creating the OpenFold training set from the datasets that are stored on RODA. We will aim to host the processed datasets on RODA as well in the near future.
- Adds a script for converting OpenFold v1 weights into OpenFold v2 weights, see this page for more info
- Adds
--experiment_config_json
option to bothrun_pretrained_openfold.py
andtrain_openfold.py
to more easily edit model config settings in openfold/config.py
What's Changed
- Fix distributed seeding behavior by @ljarosch in #418
- Fix resolution field in mmcif_parsing by @ljarosch in #420
- Adds mkl version to environment.yml by @jnwei in #437
- Update multi-chain permutation and permutation unittest by @dingquanyu in #406
- Duplicate expansion support by @ljarosch in #419
- Fix Colab by using OF commit from pl_upgrades by @vaclavhanzl in #432
- Adds Documentation and minor quality of life fixes by @jnwei in #439
New Contributors
Full Changelog: v2.0.0...v.2.1.0