Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"
☆44May 30, 2024Updated 2 years ago
Alternatives and similar repositories for MolFM
Users that are interested in MolFM are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"☆59Jun 4, 2024Updated 2 years ago
- EDM: E(3) Equivariant Diffusion Model for Molecule Generation in 3D☆28Jan 31, 2023Updated 3 years ago
- Official repository for MolCRAFT series☆155Oct 27, 2025Updated 7 months ago
- [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks☆72Mar 5, 2026Updated 3 months ago
- [ICML'24] Adsorbate Placement via Conditional Denoising Diffusion☆24May 9, 2024Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆62Oct 22, 2024Updated last year
- ☆23Jul 3, 2025Updated 11 months ago
- Code for ICLR'24 Paper "Decoupling Weighing and Selecting for Integrating Multiple Graph Pre-training Tasks"☆10Mar 12, 2024Updated 2 years ago
- Use time-splits for Materials Project entries for generative modeling benchmarking.☆13Mar 12, 2026Updated 3 months ago
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆51Jul 17, 2023Updated 2 years ago
- [AAAI 2024] Binding-Adaptive Diffusion Models for Structure-Based Drug Design☆21Mar 31, 2024Updated 2 years ago
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆173Apr 14, 2025Updated last year
- A template for deep learning projects.☆16May 7, 2025Updated last year
- Twin-deep neural network for semi-supervised learning of materials properties☆12Feb 1, 2023Updated 3 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Code for the paper "NovoMolGen: Rethinking Molecular Language Model Pretraining"☆26Jan 18, 2026Updated 4 months ago
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆55Nov 11, 2023Updated 2 years ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆20Dec 22, 2024Updated last year
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆341Jan 10, 2024Updated 2 years ago
- ☆24Jul 14, 2024Updated last year
- ☆16Jul 27, 2021Updated 4 years ago
- [TMLR 24'] TacoGFN: Target Conditioned GFlowNet for Structure-based Drug Design☆19May 31, 2026Updated 2 weeks ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Sep 14, 2024Updated last year
- Efficient 3D molecular generation with flow-matching and Semla☆60Jun 3, 2026Updated last week
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Coarse-grained Diffusion for Metal-Organic Framework Design☆63Jun 18, 2024Updated last year
- Geometric Latent Diffusion Models for 3D Molecule Generation☆277Jun 9, 2023Updated 3 years ago
- Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing☆90Dec 4, 2023Updated 2 years ago
- Code and Data for the paper: Multi-level Protein Structure Pre-training with Prompt Learning [ICLR 2023]☆33Aug 5, 2023Updated 2 years ago
- ☆31Apr 3, 2025Updated last year
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆203Apr 26, 2026Updated last month
- Official implementation of HEGNN, a novel high-degree equivariant graph neural network proposed in the NeurIPS 2024 paper 'Are High-Degre…☆34Nov 8, 2024Updated last year
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆38Jan 23, 2024Updated 2 years ago
- [NeurIPS 2024] The implementation for the paper "Geometric Trajectory Diffusion Models".☆39Jul 22, 2025Updated 10 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Conditional Diffusion Based on Discrete Graph Structures for Molecular Graph Generation☆38Jun 11, 2023Updated 3 years ago
- [TMLR 2024 J2C Certification] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆43Feb 11, 2025Updated last year
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆43Apr 2, 2025Updated last year
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆41Dec 17, 2024Updated last year
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆29Aug 20, 2024Updated last year
- [npj Comp. Mat.] Higher-order equivariant neural networks for charge density prediction in materials☆74Feb 21, 2025Updated last year
- GENOT: Generative Neural Optimal Transport☆16Dec 18, 2024Updated last year