azminewasi / Awesome-MoML-ICLR25Links
ALL Molecular ML papers from ICLR'25.
☆38Updated 3 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)☆208Updated 4 months ago
- Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …☆246Updated 2 months ago
- A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)☆210Updated last month
- Joint embedding of protein sequence and structure with discrete and continuous compressions of protein folding model latent spaces. http:…☆127Updated 3 months ago
- Dataset and package for working with protein-protein interactions in 3D☆94Updated 2 months ago
- Protein structure datasets for machine learning.☆111Updated 2 months ago
- PINDER: The Protein INteraction Dataset and Evaluation Resource☆129Updated 8 months ago
- ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)☆109Updated last year
- Lbster: Language models for Biological Sequence Transformation and Evolutionary Representation☆121Updated this week
- Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)☆85Updated 3 months ago
- Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)☆210Updated last year
- Geometric Vector Perceptron --- a rotation-equivariant GNN for learning from biomolecular structure☆147Updated 4 years ago
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆99Updated 11 months ago
- GearNet and Geometric Pretraining Methods for Protein Structure Representation Learning, ICLR'2023 (https://arxiv.org/abs/2203.06125)☆296Updated last month
- Comprehensive benchmarking of protein-ligand structure prediction methods. (ICML 2024 AI4Science)☆158Updated 3 months ago
- Generative modeling of molecular dynamics trajectories☆158Updated 3 months ago
- Official code repository for EquiFold: Protein Structure Prediction with a Novel Coarse-Grained Structure Representation☆121Updated 2 years ago
- A collection of tasks to probe the effectiveness of protein sequence representations in modeling aspects of protein design☆101Updated 9 months ago
- ☆43Updated last year
- ☆41Updated last year
- SELFormer: Molecular Representation Learning via SELFIES Language Models☆93Updated 7 months ago
- Geometry Deep Learning for Drug Discovery and Life Science☆70Updated last year
- Official code repository for the paper "ProteinNPT: Improving Protein Property Prediction and Design with Non-Parametric Transformers"☆114Updated 4 months ago
- Papers about Structure-based Drug Design (SBDD)☆118Updated 7 months ago
- Code implementation of "Diffusion probabilistic modeling of protein backbones in 3D for the motif-scaffolding problem" https://arxiv.org/…☆75Updated last year
- RNAFlow: RNA Structure & Sequence Design via Inverse Folding-Based Flow Matching☆64Updated 11 months ago
- ALL Molecular ML papers from NeurIPS'24.☆58Updated 8 months ago
- ☆214Updated 2 years ago
- Aligning protein generative models with experimental fitness☆99Updated 2 months ago
- Graph Network for protein-protein interface☆120Updated last year