Alternatives and similar repositories for poli:

Users that are interested in poli are comparing it to the libraries listed below

• kirjner / GGS
  This repository implements Gibbs sampling with Graph-based Smoothing
  ☆38Updated 10 months ago
• samuelstanton / lambo
  Code to reproduce experiments in "Accelerating Bayesian Optimization for Protein Design with Denoising Autoencoders" (Stanton et al 2022)
  ☆69Updated 10 months ago
• VincentStimper / boltzmann-generators
  Implementation of methods to sample from Boltzmann distributions
  ☆19Updated 2 years ago
• nataliemaus / lolbo
  ☆28Updated 2 years ago
• petergroth / FLOP
  This is the official code repository for the paper FLOP: Tasks for Fitness Landscapes Of Protein wildtypes by Groth et al.
  ☆22Updated last year
• cch1999 / posecheck
  Pose checks for 3D Structure-based Drug Design methods
  ☆80Updated 5 months ago
• mirunacrt / synflownet
  A GFlowNet with a chemical synthesis action space.
  ☆47Updated 2 months ago
• Croydon-Brixton / pymol-remote
  Send data to and from pymol from a remote server (e.g. a cluster running deep learning workflows)
  ☆26Updated last month
• SteshinSS / lohi_neurips2023
  Lo-Hi: Practical ML Drug Discovery Benchmark paper
  ☆11Updated last year
• AustinT / mol_ga
  Simple, lightweight package for genetic algorithms on molecules
  ☆53Updated 5 months ago
• Dunni3 / FlowMol
  Mixed continous/categorical flow-matching model for de novo molecule generation.
  ☆100Updated 2 weeks ago
• HannesStark / FlowSite
  Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …
  ☆94Updated 8 months ago
• compsciencelab / mdCATH
  This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…
  ☆40Updated 4 months ago
• anton-bushuiev / PPIformer
  Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)
  ☆45Updated 2 months ago
• learningmatter-mit / GenZProt
  ☆27Updated last year
• tiwarylab / DDPM_REMD
  Denoising diffusion probabilistic models for replica exchange
  ☆23Updated 3 years ago
• john-bradshaw / synthesis-dags
  Code for our paper "Barking up the right tree: an approach to search over molecule synthesis DAGs"
  ☆45Updated 11 months ago
• Ferg-Lab / DiAMoNDBack
  DiAMoNDBack: Diffusion-denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces
  ☆19Updated last year
• wenhao-gao / synformer
  ☆42Updated 2 months ago
• prescient-design / walk-jump
  Official repository for discrete Walk-Jump Sampling (dWJS)
  ☆50Updated 10 months ago
• noegroup / flowm
  Flow-matching for coarse graining of miniproteins.
  ☆17Updated 2 years ago
• MJ10 / BioSeq-GFN-AL
  Code for "Biological Sequence Design with GFlowNets", 2022
  ☆73Updated 2 years ago
• prescient-design / holo-bench
  Benchmark for Biophysical Sequence Optimization Algorithms
  ☆16Updated last week
• ml-jku / hyper-dti
  HyperPCM: Robust task-conditioned modeling of drug-target interactions
  ☆36Updated 6 months ago
• tiwarylab / af2rave
  Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
  ☆46Updated this week
• HeliXonProtein / proximal-exploration
  PyTorch implementation for our paper "Proximal Exploration for Model-guided Protein Sequence Design"
  ☆35Updated last year
• leojklarner / context-guided-diffusion
  Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design
  ☆37Updated 8 months ago
• graphcore-research / minimol
  MiniMol is a 10M-parameters molecular fingerprinting model pre-trained on >3300 biological and quantum tasks
  ☆16Updated 6 months ago
• aspuru-guzik-group / group-selfies
  ☆59Updated last year
• tommyhuangthu / FASPR
  an ultra-fast and accurate program for deterministic protein sidechain packing
  ☆29Updated last month