☆32May 25, 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 last year
- DeepSP is an antibody-specific surrogate CNN model that can generate 30 spatial properties of an antibody solely based on their sequences…☆22Feb 23, 2026Updated 4 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 2 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆31Jun 17, 2026Updated 2 weeks ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Plugin for folding sequences directly in PyMOL☆29Aug 5, 2025Updated 10 months ago
- ☆23Oct 2, 2024Updated last year
- Fast Molecular Property Prediction with mordredcommunity☆58Dec 12, 2025Updated 6 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☆65Jun 16, 2026Updated 2 weeks ago
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆41Jun 17, 2026Updated 2 weeks ago
- Preprocessing of datasets of chemical reactions: standardization, filtering, augmentation, tokenization, etc.☆16Sep 10, 2025Updated 9 months ago
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 4 months ago
- ☆46Dec 30, 2025Updated 6 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.
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Oct 22, 2023Updated 2 years ago
- A toolkit developed to predict and analyze PROTAC-mediated ternary complexes using AlphaFold3 and Boltz-1.☆41Jul 17, 2025Updated 11 months ago
- ☆39Jun 4, 2024Updated 2 years ago
- ☆15Jan 21, 2025Updated last year
- LillyMol Public Code☆17Updated this week
- Open source Java-based chemistry library☆124Jun 20, 2026Updated last week
- GATSol, an enhanced predictor of protein solubility through the synergy of 3D structure information and large language modeling☆19Sep 7, 2024Updated last year
- Python code to run Thermal Titration Molecular Dynamics (TTMD) simulations☆20Feb 25, 2026Updated 4 months ago
- ☆11Mar 28, 2024Updated 2 years 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.
- ☆12Jul 3, 2021Updated 4 years ago
- A Python package for processing molecules with RDKit in scikit-learn☆224Jun 1, 2026Updated last month
- ☆69Feb 17, 2026Updated 4 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆62Apr 6, 2026Updated 2 months ago
- An open library to work with pharmacophores.☆53Jul 6, 2023Updated 2 years ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆51Jun 5, 2026Updated 3 weeks ago
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆174May 22, 2026Updated last month
- POLYGON VAE For de novo Polypharmacology☆43Mar 5, 2025Updated last year
- Humanness of de-novo designed proteins☆45May 19, 2025Updated last year
- 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.
- Neural Iterative Selection-Expansion using LigandMPNN/LASErMPNN and Boltz-2x☆48May 11, 2026Updated last month
- Mordred port in cpp☆55Feb 27, 2025Updated last year
- Some useful RDKit functions☆234Jun 1, 2026Updated last month
- ☆20May 15, 2025Updated last year
- A comprehensive Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database.☆88Dec 21, 2025Updated 6 months ago
- Computer-aided synthesis planning☆56Jun 18, 2026Updated last week
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆31Jun 3, 2024Updated 2 years ago