Benchmarking deep learning models generating molecules in 3D
☆20Apr 12, 2025Updated last year
Alternatives and similar repositories for genbench3d
Users that are interested in genbench3d are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Fully automated docking pipeline (can be run in distributed environments)☆88Sep 1, 2026Updated 3 weeks ago
- ☆19Apr 24, 2025Updated last year
- All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.☆65Jul 5, 2026Updated 2 months ago
- Tools and routines to calculate distances between synthesis routes and to cluster them.☆28Feb 11, 2026Updated 7 months ago
- Bokeh extensions to plot molecules easily☆11Jul 14, 2025Updated 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.
- ☆16Aug 8, 2025Updated last year
- A simple and effective Contrastive Graph-Image Pre-training framework for molecular representation learning (BIB 2023)☆12Sep 6, 2024Updated 2 years ago
- This is for Meridian (Traditional Chinese Medicine conception) prediction by machining learning method.☆12Sep 30, 2019Updated 6 years ago
- ☆22Feb 25, 2025Updated last year
- Deep Generative Models: Diffusion Models for Molecule Generation☆10Jun 17, 2024Updated 2 years ago
- Deep Learning model for protein and ligand complex structure prediction from sequences and SMILES☆12Oct 31, 2023Updated 2 years ago
- Base Scipion plugin defining objects and protocols for CHEMoinformatics☆15Updated this week
- Learning Protein-Ligand Properties with Atomic Environment Vectors☆10Apr 19, 2024Updated 2 years ago
- An unofficial re-implementation of AntiBERTy, an antibody-specific protein language model, in PyTorch.☆26Mar 21, 2024Updated 2 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆10Feb 21, 2022Updated 4 years ago
- ☆30Apr 2, 2026Updated 5 months ago
- ☆12Mar 16, 2024Updated 2 years ago
- Drug-Likeness☆16Dec 11, 2022Updated 3 years ago
- ☆23Sep 19, 2025Updated last year
- Peptide2Mol: A Diffusion Model for Generating Small Molecules as Peptide Mimics for Targeted Protein Binding☆19Jul 7, 2026Updated 2 months ago
- BiomeNED main code☆12Jul 25, 2019Updated 7 years ago
- Versatile Molecular Editing via Multimodal and Group-optimized Generative Learning☆26May 22, 2025Updated last year
- DiffHopp: A Graph Diffusion Model for Novel Drug Design via Scaffold Hopping☆39Oct 2, 2023Updated 2 years ago
- 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.
- Enhancing Early Detection of Drug-Induced Liver Injury Through Predicted in vivo and in vitro Data Integration☆23Aug 15, 2025Updated last year
- 中医药术语识别,使用CNN-BILSTM-CRF模型对9000条训练数据和1000条测试数据进行处理,最终测试数据正确率为90+%。为方便使用,使用Tkinter对模型进行封装使用☆12Feb 21, 2020Updated 6 years ago
- ☆28Sep 6, 2026Updated 2 weeks ago
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆73Nov 6, 2025Updated 10 months ago
- Generative AI for designing easily synthesizable small molecule drugs☆234Apr 27, 2026Updated 4 months ago
- Official Bioclaw Skills (bioskills) Library for Bioinformatics and Omics Workflows☆26Apr 13, 2026Updated 5 months ago
- Useful functions for working with small molecules☆58Feb 15, 2026Updated 7 months ago
- ☆14Apr 23, 2024Updated 2 years ago
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 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.
- A program to automatically generate volcano plots for catalysis.☆15Dec 6, 2024Updated last year
- ☆20Apr 12, 2024Updated 2 years ago
- A package for uncertainty estimation with PyTorch☆12Aug 26, 2021Updated 5 years ago
- 📐 Symmetry-corrected RMSD in Python☆123Aug 3, 2026Updated last month
- A simple app to generate a predictive ML model from any ChEMBL target via UniprotID☆18Apr 24, 2026Updated 5 months ago
- 新型冠状病毒肺炎防疫指南☆16Mar 5, 2020Updated 6 years ago
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆20Nov 14, 2024Updated last year