3D-Generative-SBDD

💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)

MIT License

Stars
174
View Code on GitHub View on X
Ecosystems: Python

Issue Statistics

Past Year

All Time

Total Pull Requests
0
2
Merged Pull Requests
0
1
Total Issues
0
23
Time to Close Issues
N/A
17 days
Related Projects
DiffDock

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

04 Oct 2022 1,054
graphein

Protein Graph Library

28 Aug 2019 987
rgn2-replica

Replication attempt for the Protein Folding Model described in https://www.biorxiv.org/content/10...

08 Aug 2021 38
mini3di

A NumPy port of the foldseek code for encoding protein structures to 3di.

25 Nov 2023 22
ProteinDT

05 Feb 2023 41
diffab

✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for P...

06 Oct 2022 270
Geom3D

Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023

07 Jun 2023 108
ChemProjector

Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)

10 May 2024 26
GeoMol

05 Jun 2021 153
ZMPY3D_PT

Python implementation of 3D Zernike moments with PyTorch

25 Aug 2024 1
MoleculeSTM

Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval, Nat Mach Intell 2...

21 Dec 2022 202
invariant-point-attention

Implementation of Invariant Point Attention, used for coordinate refinement in the structure modu...

16 Jul 2021 147
aescore

Learning Protein-Ligand Affinity with Atomic Environment Vectors

16 Jun 2020 5
ddpm-ipa-protein-generation

Implementation of the DDPM + IPA (invariant point attention) for protein generation, as outlined ...

31 May 2022 86
RDE-PPI

Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protei...

09 Feb 2023 51