☆40Feb 20, 2026Updated 8 months ago
Alternatives and similar repositories for HCIE
Users that are interested in HCIE are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆13Jul 14, 2025Updated last year
- Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints (ECFPs)☆10Feb 13, 2025Updated last year
- All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.☆70Jul 5, 2026Updated 3 months ago
- ☆25Updated this week
- ☆27May 15, 2019Updated 7 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.
- Curate datasets with ease.☆32Sep 19, 2024Updated 2 years ago
- A PyQt5-based interactive tool for aligning and visualizing molecular analogs with customizable highlighting, transformations, and high-r…☆13Apr 29, 2026Updated 5 months ago
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 8 months ago
- A web-based novel drug design platform for up-to-date bioisosteric replacement☆30May 13, 2026Updated 5 months ago
- A Multi-Task Generative model for Structure-Based Drug Design☆72Oct 12, 2026Updated last week
- Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties☆41Aug 14, 2026Updated 2 months ago
- AI-augmented R-group exploration in medicinal chemistry☆21Sep 25, 2024Updated 2 years ago
- ☆58Jan 15, 2026Updated 9 months ago
- ☆41Jun 17, 2026Updated 4 months ago
- 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.
- ☆18Jul 7, 2024Updated 2 years ago
- ☆14May 15, 2024Updated 2 years ago
- Energy minimization post-processing used in PoseBusters☆14Apr 4, 2025Updated last year
- ML-guided visual inspection for molecular docking☆22Jun 3, 2025Updated last year
- MolWall: "Wall of molecules" interface to see and rate molecules☆13Mar 15, 2023Updated 3 years ago
- ANNalog package☆28Aug 27, 2026Updated last month
- BitBIRCH clustering algorithm☆133Oct 21, 2025Updated last year
- ☆10Mar 27, 2025Updated last year
- ShEPhERD-2 code: Interaction Profiles as a Universal Language for Generative Molecular Design☆61Sep 16, 2026Updated last month
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- TarPass, a benchmark for target-aware de novo molecular generation.☆16Sep 23, 2026Updated last month
- ☆20Feb 27, 2026Updated 7 months ago
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 9 years ago
- Python-based GUI to collect Feedback of Chemist in Molecules☆54Oct 15, 2024Updated 2 years ago
- ☆32Updated this week
- Generate Simple Pharmacophore Models with RDKit☆52Sep 30, 2026Updated 3 weeks ago
- ☆18Apr 17, 2025Updated last year
- DrugHIVE: Structure-based drug design with a deep hierarchical generative model☆115Oct 31, 2024Updated last year
- From Millions to Hits: A Practical HTVS Workflow☆19Sep 6, 2026Updated last month
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- ☆42Jun 24, 2024Updated 2 years ago
- Repository for Q and Q-FEP modules☆27Oct 15, 2026Updated last week
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆39Dec 27, 2023Updated 2 years ago
- ☆20Oct 13, 2026Updated last week
- ☆18Jul 30, 2024Updated 2 years ago
- A collection of cheminformatics utility functions for use with marimo notebooks☆25Aug 21, 2026Updated 2 months ago