[ICML 2025] Official implementation of Reaction Graph: Towards Reaction-Level Modeling for Chemical Reactions with 3D Structures
☆16Sep 4, 2025Updated 11 months ago
Alternatives and similar repositories for Reaction-Graph
Users that are interested in Reaction-Graph are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- [ACL2023] WhitenedCSE: Whitening-based Contrastive Learning of Sentence Embeddings☆19Sep 12, 2023Updated 2 years ago
- ☆46Aug 4, 2023Updated 3 years ago
- ☆23Mar 22, 2022Updated 4 years ago
- [MAC 2024] The baseline code for MAC 2024.☆12Jun 3, 2025Updated last year
- DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis☆29May 7, 2026Updated 3 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Quantitative NMR analysis through least-squares fit of spectroscopy data☆12Jan 29, 2020Updated 6 years ago
- ☆16Aug 5, 2024Updated 2 years ago
- Official repository of the paper "Towards Seamless Interaction: Causal Turn-Level Modeling of Interactive 3D Conversational Head Dynamics…☆20Aug 13, 2026Updated 2 weeks ago
- A lightweight, 3D molecular viewer for JavaScript and PureScript applications.☆23Mar 5, 2023Updated 3 years ago
- ☆10Mar 5, 2025Updated last year
- ☆11Apr 17, 2025Updated last year
- ☆50Dec 2, 2025Updated 8 months ago
- Accepted By The 39th Annual Conference on Neural Information Processing Systems Datasets and Benchmarks Track☆25Nov 17, 2025Updated 9 months ago
- Deterministic classification, naming, and analysis of chemical reactions☆56Aug 10, 2026Updated 2 weeks ago
- 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.
- React-OT is a generative transition state search model developed by DeepPrinciple, which uses Optimal Transport (OT) methods to generate …☆48Aug 19, 2026Updated last week
- The official implementation of ECCV2024 paper "Facial Affective Behavior Analysis with Instruction Tuning"☆32Jan 8, 2025Updated last year
- [CVPR 2024] Official PyTorch implementation for the paper: Frequency Decoupling for Motion Magnification via Multi-Level Isomorphic Archi…☆29Jul 28, 2025Updated last year
- ☆16Oct 29, 2025Updated 10 months ago
- ython package for accessing the Chemical Engineering Knowledge Graph (ChemEngKG)☆15Jun 23, 2026Updated 2 months ago
- ☆20Mar 24, 2025Updated last year
- [WACV 2024] Understanding Dark Scenes by Contrasting Multi-Modal Observations☆14Aug 1, 2026Updated 3 weeks ago
- Source codes for paper "Harnessing Machine Learning to Enhance Transition State Search with Interatomic Potentials and Generative Models"☆19Oct 23, 2025Updated 10 months ago
- Molecule Generation and Translation Framework. This is a joint PyTorch implementation of three papers in VAE-based molecule generation an…☆22Jun 8, 2022Updated 4 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Source code for "Improving Chemical Reaction Yield Prediction Using Pre-Trained Graph Neural Networks"☆22Oct 31, 2024Updated last year
- Cutting and merging sprite images. 切分合并图片☆12Jun 19, 2024Updated 2 years ago
- Unified machine learning model for predicting polymer properties through human language instructions☆35May 6, 2025Updated last year
- 『Pythonで動かしてはじめる量子化学計算』（コロナ社，2024）☆25Jun 5, 2024Updated 2 years ago
- MiniGPT-4 :: Updated to Torch 2.0, simple setup, easier API, cut out training code☆15Jun 12, 2023Updated 3 years ago
- Using quantum chemical computation to find important reactions without requiring human intuition.☆19May 9, 2018Updated 8 years ago
- Neural Graph Generator: Feature-Conditioned Graph Generation using Latent Diffusion Models☆27Mar 25, 2024Updated 2 years ago
- Dynamic Radii Adjustment for COntinuum Solvation☆19Aug 22, 2025Updated last year
- A Python implementation of the direct MaxFlux method for transition state search☆45Aug 16, 2026Updated 2 weeks ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆12Aug 15, 2023Updated 3 years ago
- ☆13May 18, 2025Updated last year
- Vehicle and traffic simulation assets using ASAM OpenX standards☆15Sep 11, 2025Updated 11 months ago
- Low-light Indoor Scene Understanding☆16Dec 14, 2022Updated 3 years ago
- Tools for performing vibrational analysis on molecular systems.☆20Sep 15, 2023Updated 2 years ago
- API for webbook.nist.gov☆14Aug 24, 2025Updated last year
- GraphRXN☆32May 22, 2023Updated 3 years ago