☆32Mar 10, 2026Updated last month
Alternatives and similar repositories for DOPtools
Users that are interested in DOPtools are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆15Jun 25, 2025Updated 10 months ago
- DeepSP is an antibody-specific surrogate CNN model that can generate 30 spatial properties of an antibody solely based on their sequences…☆19Feb 23, 2026Updated 2 months ago
- Going through a setting up a basic cheminformatics pipeline for the target EGFR☆19Apr 1, 2025Updated last year
- Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson (https…☆18Jun 14, 2024Updated last year
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆29Updated this week
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Plugin for folding sequences directly in PyMOL☆29Aug 5, 2025Updated 8 months ago
- ☆22Oct 2, 2024Updated last year
- Fast Molecular Property Prediction with mordredcommunity☆58Dec 12, 2025Updated 4 months ago
- Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints (ECFPs)☆10Feb 13, 2025Updated last year
- A Multi-Task Generative model for Structure-Based Drug Design☆61Apr 18, 2026Updated 2 weeks ago
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆39Mar 30, 2026Updated last month
- Preprocessing of datasets of chemical reactions: standardization, filtering, augmentation, tokenization, etc.☆16Sep 10, 2025Updated 7 months ago
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 2 months ago
- ☆46Dec 30, 2025Updated 4 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- A toolkit developed to predict and analyze PROTAC-mediated ternary complexes using AlphaFold3 and Boltz-1.☆41Jul 17, 2025Updated 9 months ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Oct 22, 2023Updated 2 years ago
- ☆38Jun 4, 2024Updated last year
- LillyMol Public Code☆17Updated this week
- ☆15Jan 21, 2025Updated last year
- Open source Java-based chemistry library☆119Updated this week
- GATSol, an enhanced predictor of protein solubility through the synergy of 3D structure information and large language modeling☆18Sep 7, 2024Updated last year
- Python code to run Thermal Titration Molecular Dynamics (TTMD) simulations☆20Feb 25, 2026Updated 2 months ago
- ☆11Mar 28, 2024Updated 2 years 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.
- ☆12Jul 3, 2021Updated 4 years ago
- A Python package for processing molecules with RDKit in scikit-learn☆219Apr 24, 2026Updated last week
- ☆59Feb 17, 2026Updated 2 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆62Apr 6, 2026Updated 3 weeks ago
- An open library to work with pharmacophores.☆51Jul 6, 2023Updated 2 years ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆49Jan 28, 2026Updated 3 months ago
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆171Updated this week
- POLYGON VAE For de novo Polypharmacology☆43Mar 5, 2025Updated last year
- Humanness of de-novo designed proteins☆41May 19, 2025Updated 11 months ago
- 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.
- Mordred port in cpp☆54Feb 27, 2025Updated last year
- Neural Iterative Selection-Expansion using LigandMPNN/LASErMPNN and Boltz-2x☆33Apr 23, 2026Updated last week
- Some useful RDKit functions☆228Mar 18, 2026Updated last month
- ☆17May 15, 2025Updated 11 months ago
- A comprehensive Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database.☆83Dec 21, 2025Updated 4 months ago
- Computer-aided synthesis planning☆50Updated this week
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Jun 3, 2024Updated last year