☆17Dec 5, 2024Updated last year
Alternatives and similar repositories for cligen_gen
Users that are interested in cligen_gen are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆22Sep 24, 2022Updated 3 years ago
- Extended version of the Chemprop framework that allows the calculation of atomistic and molecular Jazzy/Kallisto features.☆16Jan 10, 2025Updated last year
- AI-augmented R-group exploration in medicinal chemistry☆20Sep 25, 2024Updated last year
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Feb 22, 2024Updated 2 years ago
- Code for paper "Human-in-the-Loop Assisted de Novo Molecular Design".☆23Mar 17, 2023Updated 3 years ago
- Serverless GPU API endpoints on Runpod - Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆15Apr 30, 2025Updated 11 months ago
- SMARTS sanitization☆32Mar 2, 2026Updated last month
- ☆16Jul 7, 2024Updated last year
- EC-Conf: An Ultra-fast Diffusion Model for Molecular conformation Generation with Equivariant Consistency☆12Mar 28, 2024Updated 2 years ago
- LillyMol Public Code☆16Updated this week
- Implementation of the Paper "Physics Informed Diffusion Model for Protein Pocket Specific 3D Molecular Generation" published in Computers…☆14Mar 14, 2024Updated 2 years ago
- A repo for analysis of ensembles of protein-ligand complexes☆30Mar 11, 2026Updated last month
- ☆41Apr 10, 2025Updated last year
- Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties☆30Dec 3, 2025Updated 4 months ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Active learning workflow to train and fine-tune molecular property predictors with chemist feedback for goal-oriented molecule generation…☆15Apr 25, 2025Updated 11 months ago
- ☆14May 15, 2024Updated last year
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆30Oct 17, 2023Updated 2 years ago
- Generative Adversarial Network: Optimization in Targeted Design☆16Apr 12, 2022Updated 4 years ago
- ☆37Nov 27, 2024Updated last year
- Generates and scores synthetically tractable elaborations from fragment screens☆21Apr 9, 2026Updated last week
- GraphRXN☆31May 22, 2023Updated 2 years ago
- ☆69Nov 7, 2023Updated 2 years ago
- ☆17Jul 30, 2024Updated last year
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆15Sep 27, 2024Updated last year
- ☆23Nov 10, 2020Updated 5 years ago
- Official implementation of "BInD: Bond and Interaction-Generating Diffusion Model for Multi-Objective Structure-Based Drug Design" (Advan…☆31Jul 24, 2025Updated 8 months ago
- Code for "RGFN: Synthesizable Molecular Generation Using GFlowNets" (NeurIPS 2024)☆29Jun 9, 2025Updated 10 months ago
- Machine Learning model for molecular micro-pKa prediction☆51Sep 28, 2024Updated last year
- Official implementation of "PIGNet2: a versatile deep learning-based proteinligand interaction prediction model for binding affinity scor…☆22Aug 18, 2025Updated 7 months ago
- ☆24Aug 24, 2023Updated 2 years ago
- Token-Mol 1.0:tokenized drug design with large language model☆61Dec 9, 2025Updated 4 months ago
- Combinatorial antibiotic generation☆202Jan 13, 2026Updated 3 months 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.
- BayeshERG Official Repository☆16May 30, 2025Updated 10 months ago
- Sample-efficient Generative Molecular Design using Memory Manipulation☆80Apr 7, 2026Updated last week
- ☆15Jan 22, 2023Updated 3 years ago
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆20Feb 10, 2023Updated 3 years ago
- Analyzing chemical databases and predicting reaction conditions with cheminformatics☆48Jul 23, 2025Updated 8 months ago
- ReTReK: data-driven ReTrosynthesis planning application using Retrosynthesis Knowledge☆35Jul 12, 2023Updated 2 years ago
- ☆59Feb 17, 2026Updated last month