Python implementation of common ADME properties.
☆38Mar 27, 2023Updated 3 years ago
Alternatives and similar repositories for adme-pred-py
Users that are interested in adme-pred-py 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 simple machine learning model for small-molecule target prediction in Python.☆28Jan 22, 2021Updated 5 years ago
- Drug-Likeness☆16Dec 11, 2022Updated 3 years ago
- A Bio2BEL package for DrugBank (https://www.drugbank.ca)☆10Dec 14, 2020Updated 5 years ago
- ☆13Jul 13, 2019Updated 7 years ago
- Repository to store the code for publication reproducibility☆12Oct 11, 2024Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- DNN-DTIs: improved drug-target interactions prediction using XGBoost feature selection and deep neural network☆13Mar 5, 2021Updated 5 years ago
- A CDK-based library for generating Scaffold Trees and Scaffold Networks☆13Oct 26, 2023Updated 3 years ago
- Tutorial for the usage of the dcTMD approach and Langevin simulations employing the trypsin-benzamidine complex as example.☆11Jul 15, 2024Updated 2 years ago
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆81Jun 20, 2024Updated 2 years ago
- ☆10Oct 18, 2021Updated 5 years ago
- VMD Tcl language scripts of molecular dynamics modeling, analyzing, and visualization.☆11Apr 12, 2020Updated 6 years ago
- Source code and data files for "PEMT: A patent enrichment tool with applicability in drug discovery"☆17Sep 28, 2026Updated last month
- ☆105Feb 15, 2024Updated 2 years ago
- A Flow-based Variational Autoencoder for Molecule Generation☆10Feb 21, 2022Updated 4 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Molecular property prediction using functional groups☆14Jun 12, 2026Updated 4 months ago
- Code for "IDL-PPBopt: A Strategy for Prediction and Optimization of Human Plasma Protein Binding of Compounds via an Interpretable Deep L…☆11Apr 1, 2023Updated 3 years ago
- ☆17Jun 12, 2026Updated 4 months ago
- Top open source software from the top 50 pharmaceutical companies☆77Jun 9, 2024Updated 2 years ago
- ☆13Jun 7, 2024Updated 2 years ago
- Modeling Tanimoto distributions for RDKit☆20Feb 28, 2020Updated 6 years ago
- Standardization workflow for QSAR-ready chemical structures pre-treatment. See "release" tab for the latest version and sample files!☆25Oct 2, 2024Updated 2 years ago
- ☆10Jun 20, 2024Updated 2 years ago
- Monroe: A Molecular Foundation Model for In-Context Probabilistic Inference☆15Oct 21, 2026Updated last 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.
- De Novo Drug Design by Iterative Multi-Objective Deep Reinforcement Learning with graph-based Molecular Quality Assessment☆17Mar 20, 2023Updated 3 years ago
- Deep Binding Structure RMSD Prediction☆23Mar 19, 2021Updated 5 years ago
- Molecule Optimization via Fragment-based Generative Models☆44Apr 4, 2023Updated 3 years ago
- CardioGenAI: A Machine Learning-Based Framework for Re-Engineering Drugs for Reduced hERG Liability☆11Jul 14, 2024Updated 2 years ago
- ☆10Feb 22, 2023Updated 3 years ago
- ReTReK: data-driven ReTrosynthesis planning application using Retrosynthesis Knowledge☆35Jul 12, 2023Updated 3 years ago
- Source code and data files for manuscript titled "Pharmaceutical patent landscaping: A novel approach to understand patents from the drug…☆15Nov 27, 2023Updated 2 years ago
- Methods of druglikeness prediction☆16Nov 7, 2022Updated 3 years ago
- ☆17Nov 16, 2018Updated 7 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Fragment Linker Prediction Using Deep Encoder-Decoder Network for PROTAC Drug Design☆13Oct 2, 2023Updated 3 years ago
- Preprocessing file generator (v1) and hosted Boltz-2 API builder/submitter (v2.0): binary, ternary, or N-body protein-ligand-DNA-RNA bind…☆12Oct 22, 2026Updated last week
- Molecular SMILE generation with recurrent neural networks☆21Jul 13, 2025Updated last year
- ☆20Sep 25, 2020Updated 6 years ago
- Code associated with "A Deep-Learning View of Chemical Space Designed to Facilitate Drug Discovery"☆24Feb 1, 2022Updated 4 years ago
- The source code for ADME@NCATS application that hosts prediction models for ADME properties. Link to application: https://opendata.ncats.…☆43Sep 3, 2026Updated last month
- Training and prediction scripts for Chemprop models trained on ADMET datasets☆354Feb 22, 2026Updated 8 months ago