A geometric deep learning model for predicting molecular tensorial properties and selected spectra with high accurately and efficiency
☆17Nov 10, 2024Updated last year
Alternatives and similar repositories for DetaNet
Users that are interested in DetaNet are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- This is the repository of the EnviroDetaNet☆14Sep 3, 2024Updated 2 years ago
- Analyzing thin-layer chromatography (TLC) chromatograms☆18May 6, 2024Updated 2 years ago
- ☆10Nov 10, 2024Updated last year
- The source code of "DiffSpectra: Molecular Structure Elucidation from Spectra using Diffusion Models"☆11Oct 18, 2026Updated 2 weeks ago
- Inverted index-based search engine for ions in complex mass spectra☆11Jan 25, 2025Updated last year
- 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.
- [ICLR 2025] The source code of "MolSpectra: Pre-training 3D Molecular Representation with Multi-modal Energy Spectra"☆20Apr 19, 2025Updated last year
- ☆34Mar 14, 2021Updated 5 years ago
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆58Jun 23, 2025Updated last year
- ☆10Jul 30, 2025Updated last year
- Reinforcement Learning for Improving Chemical Reaction Performance☆14Aug 26, 2025Updated last year
- Recognition of hand drawn chemical molecular structure☆10Sep 4, 2023Updated 3 years ago
- MACE-MDP is a machine-learning model for predicting molecular dipole moments and fully anisotropic polarizability tensors for organic sys…☆15Apr 27, 2026Updated 6 months ago
- Code for ACL 2023 Oral Paper: ManagerTower: Aggregating the Insights of Uni-Modal Experts for Vision-Language Representation Learning☆12Aug 23, 2025Updated last year
- Score-based 3D molecule generation with neural fields - NeurIPS 2024☆30Dec 3, 2024Updated last year
- 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.
- This repository gathers the SchNet4AIM code along with some instructions and readme files.☆15Mar 13, 2024Updated 2 years ago
- MolSpectLLM: A Molecular Foundation Model Bridging Spectroscopy, Molecule Elucidation, and 3D Structure Generation☆15Oct 4, 2025Updated last year
- A curated list of resources and papers on Reinforcement Learning (RL) for Diffusion Models — including reward-driven training, preference…☆16Oct 16, 2026Updated 2 weeks ago
- 【Nature Computational Science 2025🔥】Deep peak property learning for efficient chiral molecules ECD spectra prediction☆53Jan 12, 2025Updated last year
- ☆12Sep 13, 2026Updated last month
- ☆45Apr 10, 2025Updated last year
- ☆13Sep 29, 2026Updated last month
- 🤓 Official Code of Paper: NMRTrans: Structure Elucidation from Experimental NMR Spectra via Set Transformers(KDD 2026)☆18Aug 10, 2026Updated 2 months ago
- Predicting MS1 precursor chemical formula from MS/MS data☆29Sep 20, 2023Updated 3 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆16Sep 12, 2026Updated last month
- To deploy a ONNX model as a web application with Python Flask☆11Apr 28, 2020Updated 6 years ago
- This repository curates open-source models and related resources for the PXRD to crystal structure generation task.☆20Oct 23, 2026Updated last week
- A recommendation system for MOFs leveraging only PXRDs and precursors☆12Sep 13, 2025Updated last year
- ☆14Mar 15, 2025Updated last year
- ☆19Jul 8, 2022Updated 4 years ago
- ☆25Jul 5, 2023Updated 3 years ago
- ☆32Jan 20, 2026Updated 9 months ago
- Discrete, Continuous, and Manifold Flow Matching with Splits and Deletions☆18Jun 22, 2026Updated 4 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.
- 企业事件抽取☆13May 20, 2021Updated 5 years ago
- Prediction molecular structure from NMR spectra☆48Mar 19, 2024Updated 2 years ago
- Public repository of the paper <Fine-tuning Pocket-conditioned 3D Molecule Generation via Reinforcment Learning>☆10Sep 12, 2024Updated 2 years ago
- MassSpecGym: A benchmark for the discovery and identification of molecules (NeurIPS 2024 Spotlight)☆156May 8, 2026Updated 5 months ago
- ☆17Mar 6, 2026Updated 7 months ago
- SUPERChem: A Multimodal Reasoning Benchmark in Chemistry☆25Sep 19, 2026Updated last month
- Augmenting Polymer Datasets via Iterative Rearrangement☆13Jun 30, 2023Updated 3 years ago