☆24Jul 5, 2023Updated 2 years ago
Alternatives and similar repositories for SDEGen
Users that are interested in SDEGen are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆62Oct 25, 2022Updated 3 years ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 2 years ago
- 3D_Molecular_Generation☆115Nov 23, 2024Updated last year
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆45Jun 26, 2024Updated last year
- Chemical Science 2023: An equivariant generative framework for molecular graph-structure Co-design☆10Jun 18, 2023Updated 2 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.
- SE(3)-equivariant point cloud networks for virtual screening☆11Nov 1, 2022Updated 3 years ago
- Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).☆173Sep 29, 2021Updated 4 years ago
- Benchmark and reference set for conformational energies in peptides☆12Oct 10, 2018Updated 7 years ago
- ☆19Oct 26, 2024Updated last year
- ☆14Jun 4, 2021Updated 5 years ago
- ☆18Aug 5, 2023Updated 2 years ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆36May 23, 2024Updated 2 years ago
- Coming Soon...☆10Mar 14, 2022Updated 4 years ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆35Mar 24, 2025Updated last year
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- ☆47Jul 13, 2025Updated 11 months ago
- Source code for the BUDE Alanine Scan web application.☆13May 27, 2025Updated last year
- Shiny Web Application for Drug Target Identification with Large-Scale Public Binding Affinities Data☆12Sep 19, 2024Updated last year
- Structure-based drug design based on Retrieval Augmented Generation☆28Nov 7, 2025Updated 7 months ago
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆77Nov 23, 2024Updated last year
- my own studied materials and scripts☆65Jan 20, 2026Updated 4 months ago
- Generative model for molecular distance geometry☆38Mar 24, 2023Updated 3 years ago
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆28Apr 6, 2022Updated 4 years ago
- ☆20Jul 3, 2024Updated last year
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- When you face some problem in drug discovery, just delete☆13Aug 3, 2024Updated last year
- Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).☆413May 17, 2023Updated 3 years ago
- Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)☆284Feb 10, 2024Updated 2 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆38Jan 23, 2024Updated 2 years ago
- ☆17Nov 14, 2022Updated 3 years ago
- Foundation model-driven lab☆33Mar 25, 2026Updated 2 months ago
- [AAAI 2024] Binding-Adaptive Diffusion Models for Structure-Based Drug Design☆21Mar 31, 2024Updated 2 years ago
- Official repository for MolCRAFT series☆155Oct 27, 2025Updated 7 months ago
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆69Dec 6, 2024Updated 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.
- A Deep Neural Network to predict small molecule torsion energy profiles with the accuracy of QM☆44Mar 13, 2023Updated 3 years ago
- Exploring protein-ligand binding affinity prediction with electron density-based geometric deep learning☆13Jul 5, 2023Updated 2 years ago
- Code to perform scaffold hopping and virtual screening using WHALES descriptors.☆33Jan 12, 2021Updated 5 years ago
- Molecular Dynamic Graph Neural Network☆20Aug 5, 2021Updated 4 years ago
- Machine learning model for predicting Human Oral Bioavailability☆13Dec 16, 2021Updated 4 years ago
- Calculate the RMSD between two protein structures☆12Jun 29, 2022Updated 3 years ago
- Test data for paper “αExtractor: a web server for automatic extraction of chemical structure from literature”☆19Dec 26, 2023Updated 2 years ago