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 month
Alternatives and similar repositories for vsa_explainer
Users that are interested in vsa_explainer are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Consensus pharmacophore for Drug Design☆15Aug 22, 2025Updated 11 months ago
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 8 years ago
- LillyMol Public Code☆17Updated this week
- ☆14Jan 30, 2025Updated last year
- The code for "Learning Molecular Representation in a Cell"☆43Mar 6, 2025Updated last year
- 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.
- Ready-To-Use Pymol Plugin for Docking and Minimization☆12Nov 15, 2025Updated 8 months ago
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆19Apr 16, 2026Updated 3 months ago
- ☆40Feb 20, 2026Updated 5 months ago
- Gaslands vehicle builder. This is my learning Android development app.☆10Jul 1, 2026Updated last month
- ☆19Dec 31, 2024Updated last year
- Enhancing Early Detection of Drug-Induced Liver Injury Through Predicted in vivo and in vitro Data Integration☆23Aug 15, 2025Updated 11 months ago
- A tool to compare two CSV files of SMILES strings, find overlapping compounds by InChIKey prefix, and generate an HTML visualization of …☆16Apr 20, 2025Updated last year
- ☆27May 15, 2019Updated 7 years ago
- Python API for Pharmer☆12Jun 14, 2019Updated 7 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.
- ☆41Nov 2, 2024Updated last year
- Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"☆24Aug 17, 2023Updated 2 years ago
- DrugHIVE: Structure-based drug design with a deep hierarchical generative model☆114Oct 31, 2024Updated last year
- ☆46Dec 30, 2025Updated 7 months ago
- Materials from the 2023 RDKit UGM☆34Jan 16, 2024Updated 2 years ago
- Code and data for a four-day hands-on course bringing data science and AI/ML tools to infectious disease research.☆10Mar 2, 2026Updated 5 months ago
- Resources for and by the #codingForChemists Discord community!☆10Jun 18, 2023Updated 3 years ago
- Curate datasets with ease.☆32Sep 19, 2024Updated last year
- Out-of-the-box automated machine learning for (Q)SAR models, predicting properties from chemical structures.☆45Jul 7, 2026Updated last month
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Implementation of Contrastive Neural Processes in PyTorch☆11Dec 7, 2022Updated 3 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆36Jul 24, 2026Updated 3 weeks ago
- ☆22Apr 7, 2023Updated 3 years ago
- Notebooks and files from the paper De novo Design and Bioactivity Prediction of SARS-CoV-2 Main Protease Inhibitors using Recurrent Neura…☆14Jan 13, 2023Updated 3 years ago
- Structure-based fragment identification in latent space☆31Mar 4, 2026Updated 5 months ago
- In the current repository, I will try to compile the sources of Cheminformatics that can be helpful for anyone that needs them☆32Feb 17, 2025Updated last year
- ☆13Jul 11, 2023Updated 3 years ago
- Supporting code for the paper "Discovering senolytics with deep learning"☆18Apr 24, 2023Updated 3 years ago
- A Python tool for creating and downsampling chemical pointclouds.☆14Apr 18, 2025Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- material for cheminfo tutorial☆13Oct 26, 2023Updated 2 years ago
- 彩虹塔,模仿一款堆方块小游戏☆10Jun 20, 2018Updated 8 years ago
- ☆33May 25, 2026Updated 2 months ago
- A place for the IEP community to share resources for data analysis☆13Jul 27, 2026Updated 2 weeks ago
- Read and write PicoQuant PTU and related files (PHU, PCK, PCO, PFS, PUS, PQRES, PQDAT, PQUNI, SPQR, and BIN).☆18Updated this week
- ☆12Aug 5, 2026Updated last week
- Segmentation and analysis of the endoplasmic reticulum facilitated by a vision transformer segmentation model☆14Nov 19, 2023Updated 2 years ago