☆14Sep 11, 2025Updated last year
Alternatives and similar repositories for drylab-tools
Users that are interested in drylab-tools are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆25Oct 18, 2026Updated last week
- From Millions to Hits: A Practical HTVS Workflow☆20Sep 6, 2026Updated last month
- ☆12Jun 29, 2025Updated last year
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆26Dec 24, 2025Updated 10 months ago
- ☆13Nov 26, 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.
- ☆61May 9, 2025Updated last year
- Virtual Medicinal Chemist, SAR reasoning☆43Jun 9, 2026Updated 4 months ago
- 3D-MolT5: Leveraging Discrete Structural Information for Molecule-Text Modeling (ICLR 2025)☆20Oct 23, 2025Updated last year
- In the current repository, I will try to compile the sources of Cheminformatics that can be helpful for anyone that needs them☆32Feb 17, 2025Updated last year
- Protein Engineering via Exploration of an Energy Landscape☆148Updated this week
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆42Sep 21, 2026Updated last month
- Peptide <-> SMILES utilities for monomer peptides with non-canonical residues, terminal modifications, and selected cyclizations.☆19Sep 11, 2026Updated last month
- AI-augmented R-group exploration in medicinal chemistry☆21Sep 25, 2024Updated 2 years ago
- BindCraft modified to make PyRosetta use and installation optional: no license needed☆169Updated this week
- 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.
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆19Apr 16, 2026Updated 6 months ago
- ☆32May 25, 2026Updated 5 months ago
- A web-based novel drug design platform for up-to-date bioisosteric replacement☆30May 13, 2026Updated 5 months ago
- Generates and scores synthetically tractable elaborations from fragment screens☆45Oct 14, 2026Updated last week
- ☆28Jun 29, 2025Updated last year
- Synthetic Accessibility via Fragment Assembly Generation☆24Jul 3, 2026Updated 3 months ago
- Code and software used to design de novo protein nanomachines. Supplementary material for "Computational design of nanoscale rotational m…☆10Mar 19, 2022Updated 4 years ago
- ML-based ligand generator☆23May 8, 2026Updated 5 months ago
- Code for "Strategy-first synthesis planning for complex natural products"☆28Sep 8, 2026Updated last month
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- ML-guided visual inspection for molecular docking☆22Jun 3, 2025Updated last year
- Official Implementation of CompassDock☆21Feb 13, 2026Updated 8 months ago
- ☆81May 4, 2026Updated 5 months ago
- Official implementation of RuSH (Scaffold Hopping with Generative Reinforcement Learning). Includes ScaffoldFinder algorithm for 2D decor…☆24Feb 20, 2025Updated last year
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆169May 9, 2026Updated 5 months ago
- A Unified 3D Generative Model for Synthesizable Structure-Based Drug Design.☆99Oct 10, 2026Updated 2 weeks ago
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 9 years ago
- A python package to predict CRISPR-Cas PAMs☆11May 3, 2023Updated 3 years ago
- Ligand-Protein Interaction Mapping☆96Aug 6, 2026Updated 2 months ago
- 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.
- ☆12Feb 17, 2023Updated 3 years ago
- DualBind is a 3D structure-based deep learning model with a dual-loss framework for accurate and fast protein-ligand binding affinity pre…☆26Oct 21, 2025Updated last year
- Molecular Reinforcement Learning☆14Mar 29, 2023Updated 3 years ago
- ☆11Apr 21, 2023Updated 3 years ago
- ☆32Aug 28, 2025Updated last year
- React components integrating OpenChemLib☆15Jul 10, 2026Updated 3 months ago
- Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"☆25Aug 17, 2023Updated 3 years ago