Enhancing Early Detection of Drug-Induced Liver Injury Through Predicted in vivo and in vitro Data Integration
☆22Aug 15, 2025Updated 11 months ago
Alternatives and similar repositories for DILI
Users that are interested in DILI are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A collection of cheminformatics utility functions for use with marimo notebooks☆20Jan 11, 2026Updated 6 months ago
- A Python tool for creating and downsampling chemical pointclouds.☆13Apr 18, 2025Updated last year
- A simple Python package to visualize and explain RDKit SlogP_VSA, SMR_VSA, EState_VSA, VSA_EState descriptor and atomic contributions☆16Jul 12, 2026Updated last week
- Predicting drug-induced liver injury (DILI) using transcriptomics☆15Jul 6, 2026Updated 2 weeks ago
- Machine Learning based toxicity prediction tool for small molecules.☆11Feb 13, 2024Updated 2 years ago
- 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.
- Base Scipion plugin defining objects and protocols for CHEMoinformatics☆15Updated this week
- Machine learning workflows for the OpenADMET project☆55Updated this week
- Scripts to calculate fingerprints and simiilarity matrices for natural product databases.☆25Apr 3, 2024Updated 2 years ago
- An interactive web-based UI app for REINVENT that enables users to generate input files for running REINVENT calculations.☆21Jun 12, 2025Updated last year
- Wrap up Platform to launch all PELE features. [AdaptivePELE, MSM, LigandGrowing, Glide Rescoring]☆11Jul 10, 2026Updated 2 weeks ago
- PDB-CAT aims to automatically categorize the mmCIF PDB structures based on the type of interaction between atoms in the protein and the l…☆15Jan 21, 2026Updated 6 months ago
- Simple Python package to calculate ROC AUC with confidence intervals using DeLong’s method☆23Mar 9, 2026Updated 4 months ago
- A molecular machine learning MCP server that enables LLMs to handle molecular data☆28Jun 29, 2026Updated 3 weeks ago
- Agent-driven molecular optimization over chemical space, using Rowan for property scoring and RDKit for constraint-aware candidate design…☆19Updated this week
- 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.
- PIDGINv4☆13Mar 15, 2022Updated 4 years ago
- MOlecule fRagmenTAtion fRamework☆30Updated this week
- GenoCraft: A Comprehensive, User-Friendly Web Platform for High-Throughput Omics Data Analysis and Visualization (https://arxiv.org/pdf/2…☆19May 28, 2025Updated last year
- Training and prediction scripts for Chemprop models trained on ADMET datasets☆331Feb 22, 2026Updated 5 months ago
- A library for writing chemical and biological data management systems☆10Oct 24, 2019Updated 6 years ago
- MolEnc: a molecular encoder using rdkit and OCaml.☆21May 12, 2026Updated 2 months ago
- Python package wrapping the DOCK Fortran program and providing several tools built on top of it.☆15Jan 16, 2026Updated 6 months ago
- Mindless molecule generator in a Python package.☆42Jan 22, 2026Updated 6 months ago
- ☆24Aug 18, 2025Updated 11 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.
- Virtual Medicinal Chemist, SAR reasoning☆36Jun 9, 2026Updated last month
- Similarity pruning engine for conformational ensembles☆23Apr 28, 2026Updated 2 months ago
- Zero-shot clinical trial matching with LLMs☆19Mar 1, 2025Updated last year
- PKSmart: Predicting PK properties using Chemical Structures☆22Sep 26, 2025Updated 9 months ago
- ☆60May 9, 2025Updated last year
- Model Evaluation Toolkit☆28Apr 17, 2019Updated 7 years ago
- Protein Language Modeling beyond static folds reveals sequence-encoded flexibility☆36Feb 1, 2026Updated 5 months ago
- Calculate Böttcher score on small molecules (doi.org/10.1021/acs.jcim.5b00723)☆15Sep 20, 2024Updated last year
- VirtualFlow for Ligand Preparation☆64Aug 31, 2025Updated 10 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.
- ☆60Jan 19, 2026Updated 6 months ago
- Implementation of SCINS☆17Nov 6, 2024Updated last year
- ☆19Dec 2, 2025Updated 7 months ago
- ☆18Jan 15, 2026Updated 6 months ago
- NMT based SMILES to IUPAC Translator☆18Jul 16, 2025Updated last year
- Reproducible cleaning and standardization of SMILES-based chemical datasets☆20Apr 15, 2026Updated 3 months ago
- CheMeleon Descriptor-based Foundation Model☆142Updated this week