-
What a great job! Only the SDF files of small molecules are output in the "results/user_predictions_small" folder when I infer with the example code：
`python -m inference --protein_ligand_csv data/…
-
Thanks so much for creating this tool! I've largely had success in using the published Colab notebook-- however, for a certain subset of complexes DiffDock eventually prints "Failed for 1 complexes" a…
-
https://forum.polymake.org/viewtopic.php?f=12&t=566
https://polymake.org/doku.php/documentation/latest/fan/polyhedralcomplex
See: #20877: Meta-ticket: Piecewise functions, polyhedral complexes, p…
-
Upgrade of #35 . Useful for cluttered groups.
-
## Expected Behavior
Use ColabFold to predict two-protein complexes with trimmed sequences (intrachain gaps).
## Current Behavior
I am running my fasta file using colabfold_batch, which to my kn…
-
Create a module that computes
(1) the kth Elser number of a graph G
(2) the nucleus complex of a graph G for every subset of the vertices
(3) Betti numbers of these complexes
For definitions of …
-
CC: @jhpalmieri @tscrim
Component: **algebraic topology**
Branch/Commit: **[u/mmarco/atmodel](https://github.com/sagemath/sagetrac-mirror/tree/u/mmarco/atmodel) @ [`e18dd20`](https://github.com…
-
From the 2019-04 GOC meeting in Cambridge, these are new proposed rules for annotation to Protein Complex binding:
(NOTE: CP : Complex portal)
1. If we know GP1 binds the Cpx1 (e.g. complexes is …
-
For Reactome complexes that are controllers of enzymatic reactions, these should be aligned with GO-CAM to specify gene product IDs and not PRO IDs. To do this, we will need to handle two different ca…
-
I don't know anything about CW complexes but I think the diagram should have the left hand arrow in the pushout being `pr₁ : S₁ × 𝕊⁰ → S₁`, and similarly for the second diagram.