Benchmarking deep learning models generating molecules in 3D
☆18Apr 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)☆70Jun 17, 2026Updated 2 weeks ago
- All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.☆57Apr 20, 2026Updated 2 months ago
- Tools and routines to calculate distances between synthesis routes and to cluster them.☆28Feb 11, 2026Updated 4 months ago
- Bokeh extensions to plot molecules easily☆11Jul 14, 2025Updated 11 months ago
- A simple and effective Contrastive Graph-Image Pre-training framework for molecular representation learning (BIB 2023)☆12Sep 6, 2024Updated 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.
- ☆22Feb 25, 2025Updated last year
- This is for Meridian (Traditional Chinese Medicine conception) prediction by machining learning method.☆11Sep 30, 2019Updated 6 years ago
- Research repository for diffusion based structure based drug design☆30Mar 12, 2025Updated last year
- An unofficial re-implementation of AntiBERTy, an antibody-specific protein language model, in PyTorch.☆26Mar 21, 2024Updated 2 years ago
- ☆16Apr 24, 2025Updated last year
- ☆30Apr 2, 2026Updated 3 months ago
- Deep Generative Models: Diffusion Models for Molecule Generation☆10Jun 17, 2024Updated 2 years ago
- Learning Protein-Ligand Properties with Atomic Environment Vectors☆10Apr 19, 2024Updated 2 years ago
- DiffHopp: A Graph Diffusion Model for Novel Drug Design via Scaffold Hopping☆36Oct 2, 2023Updated 2 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- PyChem-Pro: a molecular viewer in 2D and 3D, molecular docking pose generator, cheminformatics library, molecular descriptor calculator, …☆194Updated this week
- ☆10Feb 21, 2022Updated 4 years ago
- ☆12Mar 16, 2024Updated 2 years ago
- A program to automatically perform microkinetic modeling and generate microkinetic volcano plots for homogeneous catalysis reactions usin…☆15Apr 24, 2026Updated 2 months ago
- Deep Learning model for protein and ligand complex structure prediction from sequences and SMILES☆12Oct 31, 2023Updated 2 years ago
- Drug-Likeness☆16Dec 11, 2022Updated 3 years ago
- ☆76Feb 17, 2026Updated 4 months ago
- ☆64May 13, 2026Updated last month
- Versatile Molecular Editing via Multimodal and Group-optimized Generative Learning☆24May 22, 2025Updated last year
- 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.
- Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)☆19Jun 24, 2026Updated last week
- Computer-aided synthesis planning☆56Updated this week
- BiomeNED main code☆12Jul 25, 2019Updated 6 years ago
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆71Nov 6, 2025Updated 7 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
- ☆18Feb 3, 2023Updated 3 years ago
- Official code implementation of PremuNet model.☆17Jun 3, 2025Updated last year
- Useful functions for working with small molecules☆60Feb 15, 2026Updated 4 months ago
- A program to automatically generate volcano plots for catalysis.☆15Dec 6, 2024Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Contributed and additional nodes for maize☆23Feb 18, 2026Updated 4 months ago
- ☆14Apr 23, 2024Updated 2 years ago
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 3 years ago
- ☆27Updated this week
- ☆20Apr 12, 2024Updated 2 years ago
- Enhancing Early Detection of Drug-Induced Liver Injury Through Predicted in vivo and in vitro Data Integration☆21Aug 15, 2025Updated 10 months ago
- Useful bash scripts collection on Mac OSX.(实用的命令行脚本)☆14Nov 27, 2021Updated 4 years ago