EquiBind
EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein (by HannesStark)
DiffLinker
DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design (by igashov)
| EquiBind | DiffLinker | |
|---|---|---|
| 2 | 1 | |
| 452 | 247 | |
| - | - | |
| 0.0 | 5.3 | |
| about 1 year ago | 18 days ago | |
| Python | Python | |
| MIT License | MIT License |
The number of mentions indicates the total number of mentions that we've tracked plus the number of user suggested alternatives.
Stars - the number of stars that a project has on GitHub. Growth - month over month growth in stars.
Activity is a relative number indicating how actively a project is being developed. Recent commits have higher weight than older ones.
For example, an activity of 9.0 indicates that a project is amongst the top 10% of the most actively developed projects that we are tracking.
Stars - the number of stars that a project has on GitHub. Growth - month over month growth in stars.
Activity is a relative number indicating how actively a project is being developed. Recent commits have higher weight than older ones.
For example, an activity of 9.0 indicates that a project is amongst the top 10% of the most actively developed projects that we are tracking.
EquiBind
Posts with mentions or reviews of EquiBind.
We have used some of these posts to build our list of alternatives
and similar projects.
-
[R] EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction
Github: https://github.com/HannesStark/EquiBind
-
MIT Researchers Develop EquiBind: A Geometric Deep Learning Model That Becomes The Fastest Computational Molecular Docking Models
Continue reading | Checkout the paper, github link
DiffLinker
Posts with mentions or reviews of DiffLinker.
We have used some of these posts to build our list of alternatives
and similar projects. The last one was on 2022-11-04.
-
Learn diffusion models with Hugging Face course 🧨
I'm referring to recent works like DiffLinker (https://github.com/igashov/DiffLinker) and DiffSBDD (https://github.com/arneschneuing/diffsbdd) which use diffusion to generate new ligands or fragments of molecules. If there's enough interest, we could find space to include these exciting topics in the course :)
What are some alternatives?
When comparing EquiBind and DiffLinker you can also consider the following projects:
pypdb - A Python API for the RCSB Protein Data Bank (PDB)
datamol - Molecular Processing Made Easy.
DiffSBDD - A Euclidean diffusion model for structure-based drug design.
DeepInteract - A geometric deep learning pipeline for predicting protein interface contacts. (ICLR 2022)
ProLIF - Interaction Fingerprints for protein-ligand complexes and more
equidock_public - EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
Cozy-Auto-Texture - A Blender add-on for generating free textures using the Stable Diffusion AI text to image model.
e2cnn - E(2)-Equivariant CNNs Library for Pytorch