☆31Apr 3, 2025Updated last year
Alternatives and similar repositories for UniGEM
Users that are interested in UniGEM are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆49Jul 3, 2025Updated last year
- A geometric deep learning model for predicting molecular tensorial properties and selected spectra with high accurately and efficiency☆17Nov 10, 2024Updated last year
- ☆79Nov 7, 2025Updated 11 months ago
- Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"☆45May 30, 2024Updated 2 years ago
- [ICLR 2025] The source code of "MolSpectra: Pre-training 3D Molecular Representation with Multi-modal Energy Spectra"☆20Apr 19, 2025Updated last year
- 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.
- ☆10Mar 17, 2021Updated 5 years ago
- This is the repository of the EnviroDetaNet☆14Sep 3, 2024Updated 2 years ago
- ☆17Feb 20, 2025Updated last year
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆115Jun 3, 2025Updated last year
- ☆576Jul 10, 2022Updated 4 years ago
- The official implementation of LinkerNet: Fragment Poses and Linker Co-Design with 3D Equivariant Diffusion (NeurIPS 2023 Spotlight)☆21Feb 23, 2024Updated 2 years ago
- Code for the paper "NovoMolGen: Rethinking Molecular Language Model Pretraining"☆27Jan 18, 2026Updated 9 months ago
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆58Jun 23, 2025Updated last year
- Implementation of AGDIFF: Attention-Enhanced Diffusion for Molecular Geometry Prediction☆21Jun 19, 2025Updated last year
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ☆20Oct 26, 2024Updated last year
- The code used in the work “Inverse Design of Promising Alloys for Electrocatalytic CO2 Reduction via Generative Graph Neural Networks Com…☆18Jun 28, 2025Updated last year
- ☆15Jan 30, 2022Updated 4 years ago
- ☆67Jun 14, 2025Updated last year
- DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules☆30Jan 3, 2025Updated last year
- EDM: E(3) Equivariant Diffusion Model for Molecule Generation in 3D☆28Jan 31, 2023Updated 3 years ago
- ☆25Jul 5, 2023Updated 3 years ago
- [NeurIPS 2023] "Understanding the Limitations of Deep Models for Molecular Property Prediction: Insights and Solutions"☆13Jan 26, 2024Updated 2 years ago
- [ACL 2026] A collection of AWESOME things about LLM-Centric-Molecular-Discovery☆27Sep 7, 2026Updated last month
- 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.
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆60Sep 26, 2025Updated last year
- This repository gathers the SchNet4AIM code along with some instructions and readme files.☆15Mar 13, 2024Updated 2 years ago
- Official implementation for Learning Invariant Molecular Representation in Latent Discrete Space (NeurIPS 2023)☆23Oct 16, 2023Updated 3 years ago
- Learning Autoencoders with Relational Regularization☆46Oct 8, 2020Updated 6 years ago
- Official implementation of All Atom Diffusion Transformers (ICML 2025)☆322Apr 13, 2026Updated 6 months ago
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆145Apr 9, 2026Updated 6 months ago
- ☆18May 16, 2026Updated 5 months ago
- ☆47Sep 24, 2025Updated last year
- Code and data in support of the research paper about robotized exploration of organic reaction spaces☆17Sep 26, 2025Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Versatile Molecular Editing via Multimodal and Group-optimized Generative Learning☆26May 22, 2025Updated last year
- Diffusion model for transition state prediction☆49Nov 30, 2023Updated 2 years ago
- ChemBERTa-3 Repo☆80Jul 23, 2026Updated 2 months ago
- an autoregressive flow model incorporated with chemical acknowledge for generating drug-like molecules inside protein pockets☆165May 14, 2025Updated last year
- MASS-SPEC ATTENDS TO DE NOVO MOLECULAR GENERATION☆23Sep 23, 2025Updated last year
- Code for ICLR'24 Paper "Decoupling Weighing and Selecting for Integrating Multiple Graph Pre-training Tasks"☆11Mar 12, 2024Updated 2 years ago
- ☆12Mar 18, 2024Updated 2 years ago