azminewasi / Awesome-MoML-ICLR25Links
ALL Molecular ML papers from ICLR'25.
☆42Updated 7 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)☆218Updated 7 months ago
- Protein structure datasets for machine learning.☆112Updated 6 months ago
- Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …☆254Updated 6 months ago
- A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)☆217Updated 5 months ago
- Geometric Vector Perceptron --- a rotation-equivariant GNN for learning from biomolecular structure☆155Updated 4 years ago
- ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)☆110Updated 2 years ago
- SELFormer: Molecular Representation Learning via SELFIES Language Models☆103Updated 10 months ago
- RNAFlow: RNA Structure & Sequence Design via Inverse Folding-Based Flow Matching☆70Updated last year
- Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)☆219Updated last year
- Joint embedding of protein sequence and structure with discrete and continuous compressions of protein folding model latent spaces. http:…☆142Updated 6 months ago
- Papers about Structure-based Drug Design (SBDD)☆127Updated last month
- Generative modeling of molecular dynamics trajectories☆176Updated 6 months ago
- Graph Network for protein-protein interface☆120Updated last year
- Code implementation of "Diffusion probabilistic modeling of protein backbones in 3D for the motif-scaffolding problem" https://arxiv.org/…☆72Updated 2 years ago
- Geometry Deep Learning for Drug Discovery and Life Science☆71Updated last year
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆101Updated last year
- PINDER: The Protein INteraction Dataset and Evaluation Resource☆136Updated 11 months ago
- This repository implements Gibbs sampling with Graph-based Smoothing☆39Updated last year
- Lbster: Language models for Biological Sequence Transformation and Evolutionary Representation☆134Updated this week
- Dataset and package for working with protein-protein interactions in 3D☆96Updated 6 months ago
- ☆45Updated last year
- PEER Benchmark, appear at NeurIPS 2022 Dataset and Benchmark Track (https://arxiv.org/abs/2206.02096)☆96Updated 2 years ago
- ALL Molecular ML papers from NeurIPS'24.☆61Updated 11 months ago
- An awesome & curated list of docking papers☆117Updated 7 months ago
- Code for the paper Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language☆103Updated last year
- Graph Denoising Diffusion for Inverse Protein Folding(NeurIPS 2023)☆67Updated last year
- Official code repository for EquiFold: Protein Structure Prediction with a Novel Coarse-Grained Structure Representation☆124Updated 2 years ago
- Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.☆169Updated 2 years ago
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆133Updated 3 months ago
- Awesome De novo drugs design papers☆90Updated last year