lucidrains / neural-plexer-pytorchLinks
Implementation of Nvidia's NeuralPlexer, for end-to-end differentiable design of functional small-molecules and ligand-binding proteins, in Pytorch
☆51Updated last year
Alternatives and similar repositories for neural-plexer-pytorch
Users that are interested in neural-plexer-pytorch are comparing it to the libraries listed below
Sorting:
- Implementation of Denoising Diffusion for protein design, but using the new Equiformer (successor to SE3 Transformers) with some addition…☆57Updated 2 years ago
- ☆27Updated last month
- multi-objective protein design☆62Updated this week
- Source code for RNA-FrameFlow: SE(3) Flow Matching for 3D RNA Backbone Design☆64Updated 3 weeks ago
- A Modular Architecture for Deep Learning Systems☆41Updated last month
- Molecular Out-Of-Distribution☆37Updated 2 months ago
- ☆36Updated 8 months ago
- Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion☆58Updated last year
- Replication attempt for the Protein Folding Model described in https://www.biorxiv.org/content/10.1101/2021.08.02.454840v1☆37Updated 3 years ago
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆108Updated last year
- A comprehensive benchmark on the performances of multiple protein backbone generative models.☆61Updated last month
- Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing☆87Updated last year
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆46Updated last week
- ☆12Updated 7 months ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆43Updated 7 months ago
- Massively-Parallel Natural Extension of Reference Frame☆31Updated 2 years ago
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆66Updated 3 months ago
- Chroma Protein Diffusion Model☆10Updated last year
- Implementation of the DDPM + IPA (invariant point attention) for protein generation, as outlined in the paper "Protein Structure and Sequ…☆89Updated 2 years ago
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆99Updated 10 months ago
- ☆62Updated last week
- ☆78Updated last year
- ☆73Updated 2 years ago
- Implementation of AlphaFold 3 in PyTorch Lightning + Hydra☆34Updated 8 months ago
- 🎈 Structure-aware adapter fine-tuning PLMs, with high training speed and impressive performance (Journal of Chemical Information and Mod…☆23Updated last month
- ML-guided enzyme engineering☆64Updated 2 weeks ago
- Protein-Ligand Binding Affinity Prediction with GNN and Transfer Learning From Protein Language Models☆30Updated 3 weeks ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆44Updated 5 months ago
- ☆31Updated last month
- The software system of improving AlphaFold2- and AlphaFold-Multimer-based protein tertiary & quaternary structure prediction. It was deve…☆28Updated last year