Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
☆131Jun 5, 2024Updated last year
Alternatives and similar repositories for Geom3D
Users that are interested in Geom3D are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- 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
- [ICML'24] Adsorbate Placement via Conditional Denoising Diffusion☆23May 9, 2024Updated last year
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆178Oct 29, 2024Updated last year
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆44Jun 14, 2023Updated 2 years ago
- ATOM3D: tasks on molecules in three dimensions☆318Mar 2, 2023Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Semi-supervised Junction Tree Variational Autoencoder for jointly trained property prediction and molecule structure generation. (AAAI 23…☆12Jan 14, 2023Updated 3 years ago
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆160Apr 14, 2025Updated 11 months ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆47Jul 27, 2023Updated 2 years ago
- Neural Network Force Field based on PyTorch☆288Feb 10, 2026Updated last month
- ☆11Jun 4, 2021Updated 4 years ago
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆29Aug 20, 2024Updated last year
- GEOM: Energy-annotated molecular conformations☆244Apr 24, 2022Updated 3 years ago
- Source code for "A universal framework for accurate and efficient geometric deep learning of molecular systems" (Nature Scientific Report…☆72Nov 12, 2025Updated 4 months ago
- GearNet and Geometric Pretraining Methods for Protein Structure Representation Learning, ICLR'2023 (https://arxiv.org/abs/2203.06125)☆317Jun 13, 2025Updated 9 months 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.
- Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval, Nat Mach Intell 2023 (https://www.nature.com/articles/s42…☆251Jun 27, 2025Updated 9 months ago
- [IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models☆537Jun 17, 2023Updated 2 years ago
- [ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations☆330Feb 11, 2025Updated last year
- List of Geometric GNNs for 3D atomic systems☆121Feb 29, 2024Updated 2 years ago
- [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs☆276Feb 11, 2025Updated last year
- LLM for Drug Editing, ICLR 2024☆157May 28, 2024Updated last year
- Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …☆267Apr 27, 2025Updated 11 months ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Mar 29, 2024Updated last year
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆13Feb 20, 2026Updated last month
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- EigenFold: Generative Protein Structure Prediction with Diffusion Models☆180Apr 6, 2023Updated 2 years ago
- [AAAI'24] DiSCO: Diffusion Schrödinger Bridge for Molecular Conformer Optimization☆18Jul 25, 2024Updated last year
- Diffusion Probabilistic CDVAE☆26Dec 7, 2023Updated 2 years ago
- ☆13Nov 1, 2023Updated 2 years ago
- A Text-guided Protein Design Framework, Nat Mach Intell 2025 (https://www.nature.com/articles/s42256-025-01011-z)☆102Jan 11, 2025Updated last year
- Protein structure datasets for machine learning.☆115Apr 22, 2025Updated 11 months ago
- Awesome Protein Representation Learning☆685Nov 16, 2024Updated last year
- Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)☆81Mar 7, 2024Updated 2 years ago
- Artificial Intelligence Research for Science (AIRS)☆745Mar 14, 2026Updated last week
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion☆60May 6, 2024Updated last year
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆40Jun 1, 2024Updated last year
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆86May 6, 2022Updated 3 years ago
- The code for GIMLET: A Unified Graph-Text Model for Instruction-Based Molecule Zero-Shot Learning☆66Feb 22, 2024Updated 2 years ago
- Large language models to generate stable crystals.☆116Jun 18, 2024Updated last year
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆47Oct 28, 2023Updated 2 years ago
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆60Sep 26, 2025Updated 6 months ago