MachineLearningLifeScience / poli
A library of discrete objectives
☆17Updated last month
Alternatives and similar repositories for poli:
Users that are interested in poli are comparing it to the libraries listed below
- Code to reproduce experiments in "Accelerating Bayesian Optimization for Protein Design with Denoising Autoencoders" (Stanton et al 2022)☆67Updated 8 months ago
- This is the official code repository for the paper FLOP: Tasks for Fitness Landscapes Of Protein wildtypes by Groth et al.☆21Updated last year
- Implementation of methods to sample from Boltzmann distributions☆19Updated 2 years ago
- This repository implements Gibbs sampling with Graph-based Smoothing☆36Updated 8 months ago
- ☆27Updated 2 years ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆47Updated 2 weeks ago
- Send data to and from pymol from a remote server (e.g. a cluster running deep learning workflows)☆22Updated 2 weeks ago
- Pose checks for 3D Structure-based Drug Design methods☆78Updated 2 months ago
- Benchmark for Biophysical Sequence Optimization Algorithms☆15Updated 3 months ago
- Implementation of Protein Invariant Point Packer (PIPPack)☆31Updated 8 months ago
- Official repository for discrete Walk-Jump Sampling (dWJS)☆48Updated 7 months ago
- HyperPCM: Robust task-conditioned modeling of drug-target interactions☆36Updated 3 months ago
- Sequence-Structure-Surface Model for Protein Fitness Prediction (S3F)☆23Updated last month
- Simple, lightweight package for genetic algorithms on molecules☆50Updated 2 months ago
- FrameDiPT: an SE(3) diffusion model for protein structure inpainting☆52Updated last year
- TMol☆31Updated this week
- Code for our paper "Barking up the right tree: an approach to search over molecule synthesis DAGs"☆45Updated 9 months ago
- an ultra-fast and accurate program for deterministic protein sidechain packing☆28Updated 2 months ago
- Code for "Biological Sequence Design with GFlowNets", 2022☆72Updated last year
- Denoising diffusion probabilistic models for replica exchange☆24Updated 2 years ago
- ☆26Updated 10 months ago
- This is the official code repository for the paper NeurIPS 2024 spotlight paper "Kermut: Composite kernel regression for protein variant …☆16Updated last month
- Repository for Fast Non-autoregressive Inverse Folding with Discrete Diffusion☆15Updated 11 months ago
- ☆38Updated 2 months ago
- Bayesian Illumination is an accelerated generative model for optimization of small molecules.☆14Updated 6 months ago
- A GFlowNet with a chemical synthesis action space.☆41Updated 2 months ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆31Updated 2 months ago
- ☆29Updated 7 months ago
- DiAMoNDBack: Diffusion-denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces☆20Updated 11 months ago