Tutorial for the OpenADMET-PXR blind challenge
☆12Jul 23, 2026Updated 3 months ago
Alternatives and similar repositories for PXR-Challenge-Tutorial
Users that are interested in PXR-Challenge-Tutorial are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Reproducible cleaning and standardization of SMILES-based chemical datasets☆23Apr 15, 2026Updated 6 months ago
- ANNalog package☆28Aug 27, 2026Updated last month
- A collection of cheminformatics utility functions for use with marimo notebooks☆25Aug 21, 2026Updated 2 months ago
- ☆14Jan 30, 2025Updated last year
- Official Code Repo for LinkLlama☆15Oct 12, 2026Updated last week
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- PEACE: Protomer Enumerator & Automatic Calculator for Energies☆13Oct 16, 2026Updated last week
- An introduction to small molecule drug design with practicals☆15Sep 10, 2026Updated last month
- Large scale chemical space visualization using BBLean clustering based linear maps.☆29Sep 18, 2026Updated last month
- ☆16Jun 23, 2025Updated last year
- ☆31Jun 30, 2026Updated 3 months ago
- ☆18Jul 30, 2024Updated 2 years ago
- ☆32Jul 27, 2026Updated 2 months ago
- A package to prepare SMILES databases (Protonation, neutralization, tautomers,..)☆49Oct 12, 2026Updated last week
- From Millions to Hits: A Practical HTVS Workflow☆20Sep 6, 2026Updated last month
- 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.
- Fast Molecular Property Prediction with mordredcommunity☆62Dec 12, 2025Updated 10 months ago
- Experiments for the method comparison paper.☆41Oct 3, 2025Updated last year
- GatorAffinity: Boosting Protein-Ligand Binding Affinity Prediction with Large-Scale Synthetic Structural Data☆36Apr 10, 2026Updated 6 months ago
- Scripts to calculate fingerprints and simiilarity matrices for natural product databases.☆25Apr 3, 2024Updated 2 years ago
- Mordred port in cpp☆59Aug 26, 2026Updated last month
- Fork of open-source PyMOL molecular visualization system refactored to run in MacOS/iOS using Metal.☆39Updated this week
- Repository for the tmQMg dataset files and analysis scripts.☆18Nov 6, 2025Updated 11 months ago
- Exploring QSAR Models for Activity-Cliff Prediction☆25May 17, 2024Updated 2 years ago
- Enhancing Early Detection of Drug-Induced Liver Injury Through Predicted in vivo and in vitro Data Integration☆23Aug 15, 2025Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Geometry Regularized Autoencoders (GRAE) for large-scale visualization and manifold learning☆27Dec 15, 2023Updated 2 years ago
- ☆70Oct 18, 2026Updated last week
- Benchmarking Cofolding Methods for Molecular Glue Ternary Structure Prediction☆17Oct 29, 2025Updated 11 months ago
- Repository for the tmQMg-L dataset files.☆21Feb 25, 2026Updated 8 months ago
- ☆17Dec 25, 2025Updated 10 months ago
- A python library for prediction of drug metabolites☆23Mar 19, 2018Updated 8 years ago
- Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints (ECFPs)☆10Feb 13, 2025Updated last year
- ☆14Jul 14, 2023Updated 3 years ago
- DNA Encoded Library Data Analysis toolkit for DEL data analysis☆10Jun 12, 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.
- Pretrain Graph Transformers on molecular descriptors via masked autoencoding.☆27Sep 28, 2026Updated 3 weeks ago
- ☆14Aug 18, 2026Updated 2 months ago
- An Neural Networks based QSAR Model and a Connector to SSD☆10Sep 29, 2017Updated 9 years ago
- A comprehensive skill catalog for AI agents☆15Oct 1, 2026Updated 3 weeks ago
- A comprehensive repository of scripts, software, and tutorials for molecular evolution, computational protein design, and structural bioi…☆35Jul 26, 2026Updated 2 months ago
- RetroChimera: a frontier retrosynthesis model built on ensembling☆88Oct 16, 2026Updated last week
- protein folding app running on modal☆39May 30, 2026Updated 4 months ago