[NeurIPS 2024] The implementation for the paper "Geometric Trajectory Diffusion Models".
☆37Jul 22, 2025Updated 8 months ago
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".☆32Oct 5, 2023Updated 2 years ago
- Deep generative modeling of protein structural ensembles☆37Sep 22, 2025Updated 6 months ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆58Dec 16, 2025Updated 4 months ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Sep 14, 2024Updated last year
- ☆19Apr 10, 2026Updated last week
- 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.
- Timewarp is a research project using deep learning to accelerate molecular dynamics simulation.☆60Aug 21, 2024Updated last year
- Generative modeling of molecular dynamics trajectories☆207Mar 22, 2026Updated 3 weeks ago
- The source code of "Equivariant Spatio-Temporal Attentive Graph Networks to Simulate Physical Dynamics"☆27Aug 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
- [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks☆69Mar 5, 2026Updated last month
- Official Implemetation of ConfDiff (ICML'24) - Protein Conformation Generation via Force-Guided SE(3) Diffusion Models☆81Sep 12, 2024Updated last year
- [NeurIPS 2024] Physics-Informed Regularization for Domain-Agnostic Dynamical System Modeling☆26Jul 10, 2025Updated 9 months ago
- ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics☆61Mar 27, 2024Updated 2 years ago
- Implementation of methods to sample from Boltzmann distributions☆21Jan 24, 2023Updated 3 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- [ICCV 2025] CHORDS: Diffusion Sampling Accelerator with Multi-core Hierarchical ODE Solvers☆16Mar 3, 2026Updated last month
- Generate intrinsically disordered peptide conformations via machine learning☆26May 26, 2024Updated last year
- A framework for training energy-based diffusion models for sampling and energy estimation.☆95Nov 21, 2025Updated 4 months ago
- Code for Pre-training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory Prediction (https://arxiv.org/abs/2301.12068)☆42Jul 9, 2023Updated 2 years ago
- Versatile Embedding Network for Understanding protein Sequences☆25May 16, 2025Updated 11 months ago
- ☆21Mar 9, 2026Updated last month
- Source code of the paper "Protein Sequence and Structure Co-Design with Equivariant Translation"☆24Sep 18, 2023Updated 2 years ago
- [NeurIPS 2022] The implementation for the paper "Learning Physical Dynamics with Subequivariant Graph Neural Networks".☆39Nov 1, 2022Updated 3 years ago
- STARLING - conSTruction of intrinsicAlly disoRdered proteins ensembles efficientLy vIa multi-dimeNsional Generative models☆56Dec 23, 2025Updated 3 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- code for SeqDance/ESMDance, biophysics-informed protein language models☆58Jan 28, 2026Updated 2 months ago
- ☆37Jun 17, 2025Updated 10 months ago
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆166Apr 14, 2025Updated last year
- ☆47Mar 7, 2026Updated last month
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆47Oct 28, 2023Updated 2 years ago
- Graphormer Based Protein Sequence Design☆26Feb 2, 2024Updated 2 years ago
- Generative diverse protein backbones by protein language model☆34Feb 27, 2026Updated last month
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆43Apr 2, 2025Updated last year
- This Denoising Force Field (DFF) codebase provides a Pytorch framework for the method presented in Two for one: Diffusion models and forc…☆67May 22, 2024Updated last year
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆16Dec 10, 2024Updated last year
- ☆10Feb 3, 2026Updated 2 months ago
- Precise Generation of Conformational Ensembles for Intrinsically Disordered Proteins with IDPFold☆27Sep 13, 2024Updated last year
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆44Jul 4, 2025Updated 9 months ago
- ☆23Jan 15, 2026Updated 3 months ago
- Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)☆82Mar 7, 2024Updated 2 years ago
- List of papers on protein binding site prediction☆11Aug 11, 2023Updated 2 years ago