☆17Jul 7, 2024Updated 2 years ago
Alternatives and similar repositories for frankenrocs
Users that are interested in frankenrocs are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆40Feb 20, 2026Updated 7 months ago
- LillyMol Public Code☆18Sep 3, 2026Updated 2 weeks ago
- ☆20Nov 12, 2024Updated last year
- ☆55Sep 19, 2025Updated last year
- ☆18Jul 30, 2024Updated 2 years 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.
- ☆51Oct 8, 2020Updated 5 years ago
- ☆20Sep 14, 2022Updated 4 years ago
- A web-based novel drug design platform for up-to-date bioisosteric replacement☆30May 13, 2026Updated 4 months ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆36Sep 1, 2026Updated 3 weeks ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆96Mar 31, 2026Updated 5 months ago
- ☆27May 15, 2019Updated 7 years ago
- Generate Simple Pharmacophore Models with RDKit☆51Updated this week
- 2025 RDKit UGM☆30Sep 10, 2026Updated last week
- A Python tool for automated identification and topological analysis (QTAIM) of Critical Points at the interface between molecular fragmen…☆23Mar 25, 2026Updated 5 months 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.
- ⛰️ PrexSyn: Efficient and Programmable Exploration of Synthesizable Chemical Space☆59Updated this week
- ☆19Feb 27, 2026Updated 6 months ago
- rdkit scripts making life easier☆80Jun 22, 2026Updated 3 months ago
- Some useful RDKit functions☆239Aug 27, 2026Updated 3 weeks ago
- ☆39Jun 17, 2026Updated 3 months ago
- ☆83Feb 17, 2026Updated 7 months ago
- A collection of cheminformatics utility functions for use with marimo notebooks☆25Aug 21, 2026Updated last month
- Simple, lightweight package for genetic algorithms on molecules☆71Nov 3, 2024Updated last year
- ☆22May 28, 2025Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Quantum-mechanical molecular representations☆32Jun 19, 2026Updated 3 months ago
- Implementation for SuperWater☆53Jun 2, 2026Updated 3 months ago
- Remove effects of truncated side-products from read count data of a DNA-encoded library.☆29May 4, 2020Updated 6 years ago
- PharmacoForge: Generates pharmacophores conditioned on a protein pocket using a diffusion model☆16Jan 6, 2026Updated 8 months ago
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 7 months ago
- ☆13Dec 29, 2022Updated 3 years ago
- MCP server that enables language models to interact with RDKit through natural language☆42May 4, 2026Updated 4 months ago
- Metal and Water prediction☆16Feb 5, 2025Updated last year
- BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-throughput clustering of huge molecular libraries☆129Updated this week
- 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.
- ☆102Aug 23, 2024Updated 2 years ago
- Schrödinger Sketcher☆42Updated this week
- Torsion Angular Bin Strings: Quantifying flexibility by introducing a discrete vector representation of a conformer's dihedral angles to …☆18Jun 5, 2026Updated 3 months ago
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆24Oct 2, 2024Updated last year
- A Multi-Task Generative model for Structure-Based Drug Design☆69Sep 9, 2026Updated 2 weeks ago
- Diffusion-based molecule conformer generation☆47Apr 22, 2024Updated 2 years ago
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆20Nov 14, 2024Updated last year