a simple and fast clustering tool
☆20Jul 1, 2015Updated 10 years ago
Alternatives and similar repositories for bayon
Users that are interested in bayon are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- Code to analyze SAR datasets for Nonadditivity☆19Aug 8, 2021Updated 4 years ago
- Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization☆13Apr 29, 2020Updated 6 years ago
- Supporting models and data to doi 10.1021/acs.jcim.1c01163☆15Oct 11, 2022Updated 3 years ago
- Bayesian MPNNs for Molecular Property Prediction☆30Dec 30, 2020Updated 5 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.
- Code and datasets from the publication https://doi.org/10.1186/s13321-023-00787-9☆22Apr 21, 2024Updated 2 years ago
- Generation of new putative Mdmx inhibitors from scratch based on Recurrent Neural Networks and molecular docking.☆10Jun 27, 2019Updated 6 years ago
- Optimizing blood-brain barrier permeation through Deep Reinforcement Learning for de novo drug design☆14Apr 22, 2021Updated 5 years ago
- COrpus based Morphological Analyzer with INtegrated User dictionary☆21Mar 30, 2025Updated last year
- ☆19Jul 8, 2022Updated 3 years ago
- blogpost notebooks☆20Aug 18, 2020Updated 5 years ago
- Tool for mining structure-property relationships from chemical datasets☆16May 5, 2026Updated last month
- Modeling Tanimoto distributions for RDKit☆18Feb 28, 2020Updated 6 years ago
- Generative Adversarial Network: Optimization in Targeted Design☆16Apr 12, 2022Updated 4 years 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.
- Python API for Pharmer☆12Jun 14, 2019Updated 7 years ago
- ☆45Aug 28, 2022Updated 3 years ago
- Code for memory-assisted reinforcement learning☆24Oct 19, 2020Updated 5 years ago
- An implementation of the Solubility Forecast Index (SFI)☆25Oct 6, 2025Updated 8 months ago
- cime public repository☆32Jan 12, 2023Updated 3 years ago
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆28Apr 6, 2022Updated 4 years ago
- Model to predict kinase-ligand pKi values.☆12Jul 6, 2023Updated 2 years ago
- ☆66Feb 16, 2021Updated 5 years ago
- ☆21Mar 14, 2023Updated 3 years 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.
- python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors☆27Jul 22, 2021Updated 4 years ago
- An implementation of the Free-Wilson SAR analysis method using the RDKit☆67Sep 5, 2022Updated 3 years ago
- Deep learning model of machine translation using attentional and structural biases☆13Jul 21, 2017Updated 8 years ago
- Utilities for manipulating finite state transducers with the OpenFst library.☆32Sep 22, 2017Updated 8 years ago
- Software tools for fragment-based drug discovery (FBDD)☆27Apr 6, 2020Updated 6 years ago
- ☆13Apr 4, 2025Updated last year
- Imago OCR: chemical image recognition toolkit☆35Feb 26, 2013Updated 13 years ago
- Write reproducible code for getting and processing ChEMBL☆91Sep 14, 2025Updated 9 months ago
- A collection of tools that generate and analyse side-chain rotamer libraries☆10Updated this 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.
- ☆16Nov 27, 2016Updated 9 years ago
- Coloring molecules with explainable artificial intelligence☆16Feb 8, 2021Updated 5 years ago
- Script to check required packages for Schrödinger suite on Linux machine☆13Jun 9, 2026Updated last week
- Biomedical Relation Extraction for Transcription Factor and Gene / Gene Products (part of a Master Thesis at Rostlab, TUM)☆12Dec 23, 2017Updated 8 years ago
- ☆15Aug 13, 2021Updated 4 years ago
- Locally-Scaled Diffusion Maps, DM-d-MD☆12May 12, 2016Updated 10 years ago
- Pras Server is a library to repair PDB or mmCIF structures, add missing heavy atoms and hydrogen atoms and assign secondary structure by …☆28May 4, 2026Updated last month