AlgoMole / MolFM
Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"
☆31Updated 8 months ago
Alternatives and similar repositories for MolFM:
Users that are interested in MolFM are comparing it to the libraries listed below
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆45Updated last year
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆43Updated 6 months ago
- Official implementation of pre-training via denoising for TorchMD-NET☆88Updated last year
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆41Updated last year
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆49Updated 2 weeks ago
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆42Updated last year
- ☆55Updated 2 months ago
- Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"☆44Updated 8 months ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆32Updated 10 months ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆34Updated 5 months ago
- This is the official implementation for Equivariant Enengy-guided SDE for Inverse Molecule Design (ICLR 2023)☆46Updated last year
- Source code for Equivariant Flow Matching for Molecular Conformer Generation☆24Updated last month
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆22Updated 2 months ago
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆117Updated 8 months ago
- ☆48Updated 2 years ago
- Official code repository for the paper Exploring Chemical Space with Score-based Out-of-distribution Generation (ICML 2023)☆37Updated 8 months ago
- Source code of "Improving Equivariant Graph Neural Networks on Large Geometric Graphs via Virtual Nodes Learning"☆22Updated last month
- EDM: E(3) Equivariant Diffusion Model for Molecule Generation in 3D☆19Updated 2 years ago
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆33Updated 5 months ago
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆27Updated 4 months ago
- This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.☆91Updated last year
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆93Updated last week
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆61Updated 9 months ago
- This repo contains the codes for our paper: Molecule Generation by Principal Subgraph Mining and Assembling.☆38Updated 9 months ago
- The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)☆55Updated last year
- Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)☆57Updated 4 months ago
- Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)☆43Updated last week
- Papers about Structure-based Drug Design (SBDD)☆92Updated 2 months ago
- ☆15Updated 7 months ago
- MDM☆47Updated last year