azminewasi / Awesome-MoML-ICLR25Links
ALL Molecular ML papers from ICLR'25.
☆38Updated 5 months ago
Alternatives and similar repositories for Awesome-MoML-ICLR25
Users that are interested in Awesome-MoML-ICLR25 are comparing it to the libraries listed below
Sorting:
- gRNAde: Geometric Deep Learning for 3D RNA inverse design (ICLR 2025 Spotlight)☆212Updated 5 months ago
- Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …☆252Updated 4 months ago
- A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)☆213Updated 3 months ago
- Protein structure datasets for machine learning.☆111Updated 4 months ago
- Joint embedding of protein sequence and structure with discrete and continuous compressions of protein folding model latent spaces. http:…☆134Updated 4 months ago
- Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)☆214Updated last year
- Dataset and package for working with protein-protein interactions in 3D☆95Updated 4 months ago
- ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)☆109Updated last year
- Comprehensive benchmarking of protein-ligand structure prediction methods. (ICML 2024 AI4Science)☆167Updated 2 weeks ago
- PINDER: The Protein INteraction Dataset and Evaluation Resource☆131Updated 9 months ago
- This repository implements Gibbs sampling with Graph-based Smoothing☆39Updated last year
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆99Updated last year
- Papers about Structure-based Drug Design (SBDD)☆120Updated 8 months ago
- Official code repository for EquiFold: Protein Structure Prediction with a Novel Coarse-Grained Structure Representation☆123Updated 2 years ago
- A collection of tasks to probe the effectiveness of protein sequence representations in modeling aspects of protein design☆104Updated 11 months ago
- Generative modeling of molecular dynamics trajectories☆166Updated 4 months ago
- Geometric Vector Perceptron --- a rotation-equivariant GNN for learning from biomolecular structure☆148Updated 4 years ago
- Official repository for discrete Walk-Jump Sampling (dWJS)☆57Updated last year
- Official code repository for the paper "ProteinNPT: Improving Protein Property Prediction and Design with Non-Parametric Transformers"☆117Updated 5 months ago
- RNAFlow: RNA Structure & Sequence Design via Inverse Folding-Based Flow Matching☆66Updated last year
- Lbster: Language models for Biological Sequence Transformation and Evolutionary Representation☆125Updated last week
- ALL Molecular ML papers from NeurIPS'24.☆58Updated 9 months ago
- A list of manuscripts/tools using diffusion on biological enttieis☆97Updated last year
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆46Updated 7 months ago
- Awesome De novo drugs design papers☆89Updated last year
- Code implementation of "Diffusion probabilistic modeling of protein backbones in 3D for the motif-scaffolding problem" https://arxiv.org/…☆75Updated 2 years ago
- Multi-Scale Representation Learning on Proteins (NeurIPS 2021)☆48Updated 2 years ago
- Protein Design with Guided Discrete Diffusion☆133Updated last year
- This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"