Benchmarking deep learning models generating molecules in 3D
☆19Apr 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)☆83Jun 17, 2026Updated last month
- ☆18Apr 24, 2025Updated last year
- All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.☆58Jul 5, 2026Updated last month
- Tools and routines to calculate distances between synthesis routes and to cluster them.☆28Feb 11, 2026Updated 6 months ago
- Bokeh extensions to plot molecules easily☆11Jul 14, 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.
- ☆15Aug 8, 2025Updated last year
- A simple and effective Contrastive Graph-Image Pre-training framework for molecular representation learning (BIB 2023)☆12Sep 6, 2024Updated last year
- 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
- 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.
- ☆10Feb 21, 2022Updated 4 years ago
- ☆30Apr 2, 2026Updated 4 months ago
- ☆12Mar 16, 2024Updated 2 years ago
- Drug-Likeness☆16Dec 11, 2022Updated 3 years ago
- ☆23Sep 19, 2025Updated 10 months ago
- Peptide2Mol: A Diffusion Model for Generating Small Molecules as Peptide Mimics for Targeted Protein Binding☆20Jul 7, 2026Updated last month
- BiomeNED main code☆12Jul 25, 2019Updated 7 years ago
- Versatile Molecular Editing via Multimodal and Group-optimized Generative Learning☆25May 22, 2025Updated last year
- DiffHopp: A Graph Diffusion Model for Novel Drug Design via Scaffold Hopping☆37Oct 2, 2023Updated 2 years ago
- 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.
- Enhancing Early Detection of Drug-Induced Liver Injury Through Predicted in vivo and in vitro Data Integration☆23Aug 15, 2025Updated 11 months ago
- 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
- ☆27Jul 22, 2026Updated 3 weeks ago
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆72Nov 6, 2025Updated 9 months ago
- Generative AI for designing easily synthesizable small molecule drugs☆230Apr 27, 2026Updated 3 months ago
- Official Bioclaw Skills (bioskills) Library for Bioinformatics and Omics Workflows☆25Apr 13, 2026Updated 4 months ago
- Useful functions for working with small molecules☆60Feb 15, 2026Updated 5 months ago
- ☆14Apr 23, 2024Updated 2 years ago
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 3 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- 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 4 years ago
- 📐 Symmetry-corrected RMSD in Python☆119Aug 3, 2026Updated last week
- A simple app to generate a predictive ML model from any ChEMBL target via UniprotID☆18Apr 24, 2026Updated 3 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