☆12Oct 9, 2024Updated last year
Alternatives and similar repositories for DrugSynthMC
Users that are interested in DrugSynthMC are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆11Aug 13, 2025Updated 8 months ago
- Scaffold decoration and fragment linking with chemical language models and RL☆27Mar 24, 2025Updated last year
- ☆42Mar 26, 2025Updated last year
- WaterDock-2.0 implementation with Akshay Sridhar☆21Nov 2, 2023Updated 2 years ago
- Pocket dynamics analysis tool☆18May 8, 2025Updated 11 months 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.
- ☆14May 15, 2024Updated last year
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 2 years ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆34May 23, 2024Updated last year
- pymol implementation of WaterDock with Akshay Sridhar (@akshay-sridhar) and refactoring work by Patrick McCubbin (@mccubbinp)☆11Mar 25, 2024Updated 2 years ago
- ☆12Jul 5, 2024Updated last year
- ☆22Jul 14, 2024Updated last year
- ☆13Apr 8, 2025Updated last year
- Implementation of the Paper "Physics Informed Diffusion Model for Protein Pocket Specific 3D Molecular Generation" published in Computers…☆14Mar 14, 2024Updated 2 years ago
- ☆11Oct 14, 2023Updated 2 years 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.
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆17Apr 7, 2025Updated last year
- ☆14Apr 15, 2024Updated 2 years ago
- ☆17Apr 10, 2024Updated 2 years ago
- CPSign - an open source modeling software made for QSAR, written in Java☆15Aug 17, 2024Updated last year
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Jun 3, 2024Updated last year
- POLYGON VAE For de novo Polypharmacology☆43Mar 5, 2025Updated last year
- few-shot compound activity regression☆13Aug 19, 2024Updated last year
- DyRAMO: Dynamic Reliability Adjustment for Multi-objective Optimization☆15Mar 17, 2025Updated last year
- p-IgGen: A Generative Paired Antibody Language Model☆13May 6, 2025Updated 11 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- ☆57May 9, 2025Updated 11 months ago
- App for serotonergic targets☆12Jan 8, 2026Updated 3 months ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Oct 22, 2023Updated 2 years ago
- ☆41Apr 10, 2025Updated last year
- When you face some problem in drug discovery, just delete☆13Aug 3, 2024Updated last year
- SmartCADD is an open-source virtual screening platform that combines deep learning, computer-aided drug design (CADD), and quantum mecha…☆30Jan 16, 2025Updated last year
- Use AutoDock for Ligand-based Virtual Screening☆22Aug 18, 2024Updated last year
- ☆22Apr 20, 2025Updated last year
- FEP-SPell-ABFE: An Open Source Alchemical Absolute Binding Free Energy Calculation Workflow for Drug Discovery☆83Jan 8, 2025Updated last year
- Deploy open-source AI quickly and easily - Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Tool to predict water molecules placement and energy in ligand binding sites☆35Sep 16, 2025Updated 7 months ago
- A Chrome extension to add Sci-HUB or Lib-Gen download icons to every DOI-link on the page, with various other small changes to make scien…☆20Oct 9, 2023Updated 2 years ago
- ☆13Jul 24, 2025Updated 8 months ago
- ☆20Aug 5, 2025Updated 8 months ago
- Fully automated high-throughput MD pipeline☆90Mar 11, 2026Updated last month
- [Briefings in Bioinformatics] A Survey of Generative AI for de novo Drug Design☆96Nov 30, 2024Updated last year
- The MULTICOM4 protein structure prediction system developed by the Bioinformatics and Machine Learning Lab at the University of Missouri …☆17Nov 27, 2025Updated 4 months ago