lucidrains / evolutionary-design-molecules
Implementation of the algorithm detailed in paper "Evolutionary design of molecules based on deep learning and a genetic algorithm"
☆22Updated last year
Alternatives and similar repositories for evolutionary-design-molecules:
Users that are interested in evolutionary-design-molecules are comparing it to the libraries listed below
- Implementation of Denoising Diffusion for protein design, but using the new Equiformer (successor to SE3 Transformers) with some addition…☆56Updated 2 years ago
- ☆36Updated last month
- ☆12Updated 5 months ago
- ☆106Updated 11 months ago
- Pytorch implementation of a simple way to enable (Stochastic) Frame Averaging for any network☆49Updated 8 months ago
- Implementation of the DDPM + IPA (invariant point attention) for protein generation, as outlined in the paper "Protein Structure and Sequ…☆89Updated 2 years ago
- ☆31Updated 2 months ago
- ProtMamba: a homology-aware but alignment-free protein state space model☆62Updated 3 weeks ago
- Toy genetic algorithm in Pytorch☆39Updated this week
- A tool for predicting the effects of missense mutations on protein stability changes upon missense mutation using protein sequence only. …☆22Updated last year
- Evolutionary Algorithm with Diffusion Models for Protein Design☆21Updated 2 months ago
- Generative Pretrained Autoregressive Transformer Graph Neural Network applied to the Analysis and Discovery of Materials☆15Updated last year
- ☆58Updated 3 weeks ago
- Code for the paper https://arxiv.org/abs/2402.04997☆77Updated last year
- ☆38Updated 6 months ago
- My own attempt at a long context genomics model, leveraging recent advances in long context attention modeling (Flash Attention + other h…☆52Updated last year
- Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion☆57Updated 11 months ago
- ☆26Updated 11 months ago
- Contrasting Sequence with Structure: Pre-training Graph Representations with PLMs☆24Updated last year
- In-silico design pipeline for evaluating protein structure diffusion models.☆23Updated 10 months ago
- Meta Flow Matching: Integrating Vector Fields on the Wasserstein Manifold☆52Updated last month
- Official implementation for the paper "EBMDOCK: NEURAL PROBABILISTIC PROTEIN-PROTEIN DOCKING VIA A DIFFERENTIABLE ENERGY-BASED MODEL" (IC…☆13Updated last year
- Combinatorial prediction of therapeutic perturbations using causally-inspired neural networks☆24Updated 4 months ago
- Orthrus is a mature RNA model for RNA property prediction. It uses a mamba encoder backbone, a variant of state-space models specifical…☆61Updated 3 months ago
- Replication attempt for the Protein Folding Model described in https://www.biorxiv.org/content/10.1101/2021.08.02.454840v1☆37Updated 2 years ago
- A diffusion model for structure-based drug design with faster inference from learned representations of protein structure.☆28Updated last year
- BioDiscoveryAgent is an LLM-based AI agent for closed-loop design of genetic perturbation experiments☆59Updated 4 months ago
- Supporting code for our paper "Protein Sequence Modelling with Bayesian Flow Networks"☆38Updated last month
- RITA is a family of autoregressive protein models, developed by LightOn in collaboration with the OATML group at Oxford and the Debora Ma…☆96Updated 2 years ago
- Discovering Interpretable Features in Protein Language Models via Sparse Autoencoders☆168Updated 2 months ago