EDBench: Large-Scale Electron Density Data for Molecular Modeling (NeurIPS 2025)
☆22May 12, 2026Updated last week
Alternatives and similar repositories for EDBench
Users that are interested in EDBench are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A curated list of awesome AI and Bioinformatics.☆54Mar 5, 2023Updated 3 years ago
- A simple and effective Contrastive Graph-Image Pre-training framework for molecular representation learning (BIB 2023)☆12Sep 6, 2024Updated last year
- Geometry Deep Learning for Drug Discovery and Life Science☆72Apr 26, 2024Updated 2 years ago
- ☆17Apr 27, 2026Updated 3 weeks ago
- [NeurIPS 2025 Spotlight] E2Former: An Efficient and Equivariant Transformer with Linear-Scaling Tensor Products☆27Feb 16, 2026Updated 3 months ago
- 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.
- Official repository of "KDFAS: Multi-Stage Knowledge Distillation Vision Transformer for Face Anti-Spoofing".☆10Oct 9, 2024Updated last year
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆62Oct 22, 2024Updated last year
- ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.☆56Feb 27, 2025Updated last year
- Molecular and crystal electromagnetic properties☆26May 5, 2025Updated last year
- 基于 yolomark的半自动化标注工具☆13May 5, 2019Updated 7 years ago
- ☆12Feb 28, 2024Updated 2 years ago
- A collection of Python scripts for computing physical properties and analyzing trajectories from molecular dynamics simulations.☆21Oct 12, 2025Updated 7 months ago
- MBP: Multi-task Bioassay Pre-training for Protein-Ligand Binding Affinity Prediction☆21Oct 15, 2024Updated last year
- Access to data for workshops and extended tests of MDAnalysis.☆19Apr 3, 2026Updated last month
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Python scripts for computing a dynamic user equilibrium solution for a multi-OD road network. The model uses a cell transmission model fo…☆15Jun 9, 2020Updated 5 years ago
- Graph Neural Networks for Drug Efficacy Prediction☆12Sep 11, 2022Updated 3 years ago
- ☆19Aug 8, 2024Updated last year
- This repository contains code related to a research paper I've been working on titled "Dynamic traffic assignment with a node-based cell …☆18Aug 23, 2019Updated 6 years ago
- ☆74Sep 27, 2022Updated 3 years ago
- [ACL 2024] ReactXT: Understanding Molecular “Reaction-ship” via Reaction-Contextualized Molecule-Text Pretraining. by Zhiyuan Liu*, Yaoru…☆28Sep 3, 2024Updated last year
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆41Dec 17, 2024Updated last year
- A tool for the perception of chemical bonds via machine learning☆10Nov 15, 2025Updated 6 months ago
- ☆25Jan 30, 2025Updated last year
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Awesome list about AI4Polymer☆18Apr 21, 2026Updated last month
- An Image-enhanced Molecular Graph Representation Learning Framework (IJCAI 2024)☆17Dec 24, 2024Updated last year
- A Quasi-Wasserstein Loss for Learning Graph Neural Networks (QW loss)☆10May 20, 2024Updated 2 years ago
- Implementation of Fragment-based Pretraining and Finetuning on Molecular Graphs (NeurIPS 2023)☆24Jun 10, 2024Updated last year
- ☆46Mar 24, 2026Updated last month
- Learnable Global Pooling Layers Based on Regularized Optimal Transport (ROT)☆16Mar 17, 2024Updated 2 years ago
- ☆64May 13, 2026Updated last week
- ☆10Mar 23, 2025Updated last year
- [Nature Portfolio] The official code for "A high-order focus interaction model and oral ulcer dataset for oral ulcer segmentation".☆22Mar 15, 2025Updated last year
- 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.
- Repository for AAAI 2024 paper "MolTailor: Tailoring Chemical Molecular Representation to Specific Tasks via Text Prompts"☆23Apr 20, 2024Updated 2 years ago
- This repository documents the MATLAB implementation of several day-to-day (disequilibrium) dynamic traffic assignment models, e.g. based …☆33Feb 16, 2020Updated 6 years ago
- Generate intrinsically disordered peptide conformations via machine learning☆25May 26, 2024Updated last year
- rubby package adds support for ruby (furigana) in Typst.☆22Sep 26, 2025Updated 7 months ago
- unimol_tools: a easy-use & auto-ml molecule property prediction tool☆29Apr 8, 2026Updated last month
- [NeurIPS 2023] "Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules"☆41Mar 16, 2024Updated 2 years ago
- A curated list of papers and resources on Structure-Based Drug Design (SBDD)☆12Jun 24, 2024Updated last year