[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
- 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.
- 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…☆20Mar 12, 2026Updated 4 months 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
- ☆48Dec 2, 2025Updated 8 months ago
- Analyzing chemical databases and predicting reaction conditions with cheminformatics☆56Jul 23, 2025Updated last year
- React-OT is a generative transition state search model developed by DeepPrinciple, which uses Optimal Transport (OT) methods to generate …☆48Aug 25, 2025Updated 11 months ago
- 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.
- 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…☆28Jul 28, 2025Updated last year
- ☆16Oct 29, 2025Updated 9 months ago
- ☆20Mar 24, 2025Updated last year
- 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
- 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☆34May 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)☆24Jun 5, 2024Updated 2 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- 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 11 months ago
- A Python implementation of the direct MaxFlux method for transition state search☆45Jul 29, 2026Updated last week
- ☆12Aug 15, 2023Updated 2 years ago
- ☆13May 18, 2025Updated last year
- [NeurIPS 2025] Implementation for the paper "Modeling Microenvironment Trajectories on Spatial Transcriptomics with NicheFlow"☆25Nov 4, 2025Updated 9 months ago
- Self-Supervised Speech/Sound Pre-training and Representation Learning Toolkit☆13Nov 18, 2022Updated 3 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.
- Low-light Indoor Scene Understanding☆16Dec 14, 2022Updated 3 years ago
- [AAAI 2025 𝐎𝐫𝐚𝐥] MuMA-ToM: Multi-modal Multi-Agent Theory of Mind☆41Jun 28, 2026Updated last month
- Tools for performing vibrational analysis on molecular systems.☆19Sep 15, 2023Updated 2 years ago
- API for webbook.nist.gov☆14Aug 24, 2025Updated 11 months ago
- ☆18Jan 28, 2026Updated 6 months ago
- GraphRXN☆32May 22, 2023Updated 3 years ago
- This is the official code repository of our dataset and ECCV 2024 paper entitled "Oulu Remote-photoplethysmography Physical Domain Attac…☆14Jul 9, 2025Updated last year