[NeurIPS 2024] The implementation for the paper "Geometric Trajectory Diffusion Models".
☆39Jul 22, 2025Updated last year
Alternatives and similar repositories for GeoTDM
Users that are interested in GeoTDM are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- [NeurIPS 2022] The implementation for the paper "Equivariant Graph Hierarchy-Based Neural Networks".☆33Oct 5, 2023Updated 2 years ago
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆43Apr 2, 2025Updated last year
- [NeurIPS 2024] Physics-Informed Regularization for Domain-Agnostic Dynamical System Modeling☆28Jul 10, 2025Updated last year
- ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics☆65Mar 27, 2024Updated 2 years ago
- Timewarp is a research project using deep learning to accelerate molecular dynamics simulation.☆66Aug 21, 2024Updated last year
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- [NeurIPS 2022] The implementation for the paper "Learning Physical Dynamics with Subequivariant Graph Neural Networks".☆39Nov 1, 2022Updated 3 years ago
- This is the official repository for our paper "UniSim: A Unified Simulator for Time-Coarsened Dynamics of Biomolecules" published in ICML…☆19Apr 14, 2026Updated 3 months ago
- ☆15Jun 25, 2026Updated last month
- Generative modeling of molecular dynamics trajectories☆223Mar 22, 2026Updated 4 months ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Sep 14, 2024Updated last year
- [NeurIPS 2023] The source code of "Equivariant Spatio-Temporal Attentive Graph Networks to Simulate Physical Dynamics"☆28Aug 6, 2024Updated last year
- 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
- This Denoising Force Field (DFF) codebase provides a Pytorch framework for the method presented in Two for one: Diffusion models and forc…☆69May 22, 2024Updated 2 years ago
- [ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".☆66Jun 27, 2024Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks☆74Mar 5, 2026Updated 4 months ago
- A framework for training energy-based diffusion models for sampling and energy estimation.☆108May 10, 2026Updated 2 months ago
- Deconvolving mutation effects on protein stability and function with disentangled protein language models☆18May 15, 2026Updated 2 months ago
- Source code for IRL-INR (ICML 2023)☆21May 27, 2023Updated 3 years ago
- Implementation of methods to sample from Boltzmann distributions☆22Jan 24, 2023Updated 3 years ago
- code for SeqDance/ESMDance, biophysics-informed protein language models☆61Jan 28, 2026Updated 6 months ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆62Dec 16, 2025Updated 7 months ago
- Generate intrinsically disordered peptide conformations via machine learning☆25May 26, 2024Updated 2 years ago
- [Nature Communications] The implementation for the paper "An equivariant pretrained transformer for unified 3D molecular representation l…☆15Jun 25, 2026Updated last month
- 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.
- Source code of the paper "Protein Sequence and Structure Co-Design with Equivariant Translation"☆24Sep 18, 2023Updated 2 years ago
- Code for Pre-training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory Prediction (https://arxiv.org/abs/2301.12068)☆41Jul 9, 2023Updated 3 years ago
- [ICML 2024] Official implementation of FastEGNN: Improving Equivariant Graph Neural Networks on Large Geometric Graphs via Virtual Nodes …☆32Jun 25, 2025Updated last year
- Deep generative modeling of protein structural ensembles☆39May 27, 2026Updated 2 months ago
- [ICCV 2025] CHORDS: Diffusion Sampling Accelerator with Multi-core Hierarchical ODE Solvers☆17Mar 3, 2026Updated 4 months ago
- STARLING - conSTruction of intrinsicAlly disoRdered proteins ensembles efficientLy vIa multi-dimeNsional Generative models☆73Jul 16, 2026Updated last week
- Separable Diffusion Model Unlearning☆13Jan 29, 2025Updated last year
- Code repository for Trajectory Flow Matching☆114Oct 31, 2024Updated last year
- Versatile Embedding Network for Understanding protein Sequences☆26May 16, 2025Updated last year
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Official Implemetation of ConfDiff (ICML'24) - Protein Conformation Generation via Force-Guided SE(3) Diffusion Models☆86Sep 12, 2024Updated last year
- Precise Generation of Conformational Ensembles for Intrinsically Disordered Proteins with IDPFold☆28Sep 13, 2024Updated last year
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆49Oct 28, 2023Updated 2 years ago
- Graphormer Based Protein Sequence Design☆26Feb 2, 2024Updated 2 years ago
- ☆48Mar 7, 2026Updated 4 months ago
- FoldFlow: SE(3)-Stochastic Flow Matching for Protein Backbone Generation☆295Dec 10, 2024Updated last year
- [OPEN Survey] A collection of papers on XRD-based crystal structure identification and analysis.☆21Jul 14, 2026Updated 2 weeks ago