apple / ml-mcfLinks
☆38Updated 9 months ago
Alternatives and similar repositories for ml-mcf
Users that are interested in ml-mcf are comparing it to the libraries listed below
Sorting:
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆111Updated this week
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆99Updated 11 months ago
- Generative modeling of molecular dynamics trajectories☆158Updated 3 months ago
- A GFlowNet with a chemical synthesis action space.☆76Updated 5 months ago
- Uncover meaningful structures of latent spaces learned by generative models with flows!☆42Updated last year
- Official implementation of All Atom Diffusion Transformers (ICML 2025)☆239Updated last month
- The official codebase of the paper "Chemical language modeling with structured state space sequence models"☆79Updated 11 months ago
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆122Updated last year
- Official repository for MolCRAFT series☆100Updated this week
- Sample-efficient Generative Molecular Design using Memory Manipulation☆57Updated last month
- Working collection of papers, repos and models of transformer based language models trained or tuned for the Chemical domain, from natura…☆65Updated 2 years ago
- ☆79Updated last week
- Language models for drug discovery using torchrl☆92Updated last week
- Recursion's molecular foundation model☆51Updated last month
- RetroBridge: Markov Bridge Model for Retrosynthesis Planning☆30Updated last year
- Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)☆85Updated 3 months ago
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆66Updated 4 months ago
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆95Updated 3 months ago
- Source code for Equivariant Flow Matching for Molecular Conformer Generation☆36Updated last month
- Multi-domain Distribution Learning for De Novo Drug Design☆97Updated 3 months ago
- Protein-Ligand Binding Affinity Prediction with GNN and Transfer Learning From Protein Language Models☆31Updated last week
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆108Updated last year
- ☆34Updated 3 months ago
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆42Updated 3 weeks ago
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆40Updated last year
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆49Updated last year
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆134Updated 4 months ago
- This Denoising Force Field (DFF) codebase provides a Pytorch framework for the method presented in Two for one: Diffusion models and forc…☆62Updated last year
- Pose checks for 3D Structure-based Drug Design methods☆84Updated 8 months ago
- ☆44Updated last year