Alex Morehead

Hello. Thank you all for your great work on DiffDock and similar efforts! I was curious if anyone else has experienced sporadic (i.e., periodic) `Runtime Errors` in Python when executing...

Add `torchdrug` to project dependencies

1

TODO: Add `torchdrug` to project dependencies, docs, and `README.md`.

Add `flash`

1

* Adds `lightning-flash` to `poe` tasks. * NOTE: We also need to update the README to describe that a manual installation of `lightning-flash` is in order, via either `poe install-flash`...

Hi! Thank you for releasing the source code associated with your recent paper. I was wondering if you would also be able to provide the full source code for computing...

Hello. Thank you for making this great work open-source. Would it be possible to also share the pre-trained QM9 conditional generation checkpoints used in the GeoLDM manuscript? Best, Alex

Same PDB Chain IDs

1

Hello. When running your `ab` model weights on an input CSV containing a `uid` column as well as both `heavy` and `light` chain sequence columns, it appears as though your...

* Fixes small typos in README.md

[NEURIPS] `.zip` and `.tar.gz` archives are not supported for file uploading

5

* `.zip` and `.tar.gz` archives are currently not supported for file uploading. What would be needed to implement this feature?

Add timeout decorator to RMSD calculations to prevent occasional process deadlocks

2

* Adds a timeout decorator to the `_rmsd` function to prevent occasional process deadlocks. * The timeout is set to 30 seconds by default.

* Fixes a small typo in `run_alphafold.py`