Commit Graph

16 Commits

Author SHA1 Message Date
Rachel Clune
38d0989cb7 Docs: RF3 README update and moving RF3 examples (#216)
* RF3 README update and moving RF3 examples

I updated the RF3 README for installation instructions that matched the RFD3 installation instructions. For the first example, I improve the instructions for running and fixed the output file descriptions to match what is now output by running the example. I commented out the 'Templating a Small Molecule' section because many of the files in that section were not present in the repository. The rest of the changes were mostly typo fixes.

 I moved the examples from `foundry/docs/releases` to `foundry/models/rf3/docs` to match the organization of RFD3. The changes made to the JSON files just reflect this change of location.

* Changed paths in example JSON files to point to new RF3 examples location

* Updated the landing page for the RF3 documentation so that it links out to the README
2026-02-27 15:35:02 -08:00
Rachel Clune
38a83a97b1 Docs: PPI tutorial updates, RF3 and MPNN docs placeholders, minor edits (#195)
* Docs: Installation FAQ space and minor RFD3 docs updates

Installation FAQ: created a document to specify any common installation issues and questions. Should be continuously updated based on logged issues and questions. Not specific to any model.

RFD3:
- changed the checkpoint files specified in the examples to rfd3_latest.ckpt
- updated information in input.md to clarify information based on recent issues that had been submitted

* Docs: Symlinks for RF3 and MPNN docs, RFD3 README minor edits

RF3 and MPNN: folders, index files, and symlinks were created in order to provide space for eventual RF3 and MPNN docs.

Several small changes in the RFD3 README to improve readability and  add a pointer to the PPI tutorial as a starting point for someone new to RFdiffusion tools.
2026-02-02 15:33:04 -08:00
Rachel Clune
73865046c5 Creating the external foundry documentation structure and first round of documentation for RFD3 (#143)
* Starting to put together the foundry and RFD3 external documentation

Set up the foundation for Sphinx to be able to build the external docs, first draft of a ppi_design_tutorial has been completed.

* Add RFdiffusion3 documentation and update toctree

Added initial documentation for RFdiffusion3 under models/rfd3/docs/index.rst and linked it in the main docs toctree. Updated toctree maxdepth for better navigation and added a symlink for the rfd3 model documentation.

* Update and expand RFdiffusion3 documentation

Added introductory and reference documentation files, improved the index structure with general information and examples, and enhanced the PPI design tutorial with additional notes, figures, and clarifications. Also fixed a typo in a PDB filename.

* Update RFD3 documentation and tutorial content

Expanded the Sphinx static path to include RFD3 assets and made minor formatting and clarity improvements in the main and RFD3-specific documentation. The PPI design tutorial was revised for clarity, improved step-by-step instructions, and better separation of setup and execution steps.

* Update RFD3 documentation and tutorials

Added source_suffix to Sphinx conf.py for Markdown support. Updated index.rst to include new documentation sections. Expanded intro_inference_calculations.md with detailed instructions on inference input formats, job configuration, and output files. Improved input.md formatting for appendices and FAQs. Revised ppi_design_tutorial.md for clarity, added details on settings, and expanded explanations for hotspots and batch inference.

* Update RFD3 docs: clarify input specs and file formats

Expanded and clarified the documentation for RFdiffusion3 input specifications, including more detailed explanations of the 'contig' string, input file types, and example YAML/JSON formats. Improved the intro to inference calculations to better explain the structure and usage of settings files, and updated descriptions for job configuration and output files. Added a placeholder for configuration options documentation.

* Update RFdiffusion3 input documentation and examples

Expanded and clarified the documentation for RFdiffusion3 input specification, including detailed explanations of CLI arguments, InputSpecification fields, the InputSelection mini-language, contig string formatting, and advanced options such as partial diffusion and CIF parser arguments. Added more examples, debugging recommendations, and an updated FAQ. Also updated the output file naming explanation for clarity. Removed the obsolete configuration_options.md file.

Note that images are still not being rendered correctly in many of the md files. Fix will be in future commit.

* PPI tutorial and RFD3 docs update

Created output files for PPI tutorial and listed their locations. Made edits to files to add labels to sections to remove sphinx warnings.

* Delete docs/source/conf.py~

This is an auto-save file from emacs - it does not need to be in the repo.

* Delete docs/source/index.rst~

This is an auto-saved copy of index.rst,  it does not need to be in the repo

* Adding missing images and fixing docs symlink

* Fix grammatical error in RFdiffusion3 documentation

Fixed typo, clarified enzyme design language.

* Fix typos and enhance clarity in inference docs

Corrected typos and improved clarity in the documentation regarding inference settings and file formats.
2026-01-02 11:21:10 -08:00
ncorley
04cb7f2ca6 feat: collab notebook 2025-12-03 09:31:41 -08:00
Ubiquinone-dot
2da0087880 Add file 2025-12-03 01:52:12 -08:00
Rachel Clune
98b12108c7 Added details and fixed typos in NA binder design examples (#721)
* Fixed spelling and grammar mistakes in the md file for NA binder design examples. Created a .json file containing the code bits for users to easily run the examples.

* NA example clean up

Removed NA examples from foundry docs directory and moved necessary files to the RFD3 docs directory. Added example syntax for how to use `rfd3 design` instead of `python ...`

* Update na_binder_design.md small edits to the hbplus warning sentence

---------

Co-authored-by: Raktim Mitra <timkartar7879@gmail.com>
2025-12-03 00:34:46 -08:00
Rohith Krishna
faa2935417 remove ipd specific files 2025-12-02 20:56:06 -08:00
Rohith Krishna
db7cbf37d1 fix: fix path in paths for pdb parsing (#715)
* refactor: change modelhub to foundry

* fix: fix path in paths for pdb parsing

* Update run_inf_tutorial.sh

---------

Co-authored-by: Rohith Krishna <rohith@localhost>
Co-authored-by: Raktim Mitra <timkartar7879@gmail.com>
2025-12-02 17:55:02 -08:00
Jasper Butcher
62cbbe28e5 Finalizing READMEs (#711)
* Draft update to main

* Minor changes

* Add files

* ppi/sm/enzyme.md and input.md/reade.md cleanups

* fix run commands

* fix: typo in ppi md

* fix: Update header dna_binder_design.md

* description of dna_binder_design examples in .md

* fix: Update dna_binder_design.md fix typo

* fix: Update main README.md to add all citations

* fix: filename dna->na

* fix: filename dna->na

---------

Co-authored-by: Raktim Mitra <raktim@digs.ipd.uw.edu>
Co-authored-by: Raktim Mitra <timkartar7879@gmail.com>
2025-12-02 16:46:33 -08:00
Raktim Mitra
152a0911f1 DRAFT: docs for release, soft code hbplus (#699)
* documentation for release draft start

* trajectory.png

* update readme to rf3-lab paths, annotate TODOs

* add input_pdbs, demo.json

* Update README.md example pngs

* tasks pngs

* Update README.md - restructure pngs and application links

* Update README.md mc

* Update README.md add ipynb kernel export instruction

* mpnn all.ipynb

* open and edit tutorial.zip

* Update run_inf_tutorial.sh

* remove outputs

* cleanup

* rename

* soft code hbplus executable

* rename modelforge to foundry (rfd3) README

* fix: enabled running rfd3, mpnn inline

* cleanup

* remove todos, one remaining

* clear outputs

---------

Co-authored-by: Raktim Mitra <raktim@digs>
Co-authored-by: Raktim Mitra <raktim@localhost>
Co-authored-by: Rohith Krishna <rohith@localhost>
Co-authored-by: Raktim Mitra <raktim@digs.ipd.uw.edu>
2025-12-01 18:23:02 -08:00
Jasper Butcher
7c1a77ff0c Add enzyme example, refactor io (#688)
* Add enzyme example, refactor io

* udpate
2025-11-25 16:45:25 -08:00
Nathaniel Corley
aa4cb6875f fix: paths and ipd readme (#656)
fix: update paths; add IPD readme
2025-11-13 17:46:04 -08:00
ncorley
cbbe4c6a6d wip: save before letting Claude rip 2025-10-01 12:01:05 -07:00
ncorley
2e218aafc2 feat: update ligand templating, bump atomworks version 2025-09-17 21:41:57 -07:00
ncorley
f201cfa1cc fix: inference for RF3 2025-09-17 04:01:18 -07:00
Nathaniel Corley
05ecfbf046 docs: graphics 2025-08-15 17:27:53 +02:00