| Name | Version | Summary | date |
| bioql |
6.0.0 |
Enterprise Quantum Computing v6.0.0 - MULTI-OMICS PLATFORM: Proteomics (Protein Analysis, PTM Prediction, PPI), Metabolomics (Pathway Analysis, FBA/MFA), Multi-Omics Integration (Quantum Fusion), Advanced Genomics (Variant Calling, Epigenetics, RNA-Seq) + Full Drug Discovery Pipeline - Production Ready! |
2025-10-25 18:11:48 |
| deli-chem |
0.1.1 |
DNA encoded library sequence analysis software with custom library design support |
2025-10-23 23:42:47 |
| mgktools |
3.2.0 |
Marginalized Graph Kernel Library for Molecular Property Prediction |
2025-10-15 14:49:18 |
| ivybloom |
0.7.1 |
Command-line interface for computational biology and drug discovery |
2025-10-13 20:51:48 |
| simutools |
0.0.1 |
Tools for molecular simulation. |
2025-09-19 15:31:53 |
| qc-B3DB |
1.1.1 |
A rich molecule dataset for Blood-Brain Barrier (BBB) permeability. |
2025-09-10 20:30:57 |
| DockSuiteX |
2.0.2 |
All-in-one protein-ligand docking package for Windows with bundled tools |
2025-09-06 13:18:01 |
| synfrag |
1.0.0 |
SynFrag: A Synthetic Accessibility Predictor based Fragment Assembly autoRegressive pretrain |
2025-09-01 14:40:38 |
| biochemical-data-connectors |
3.2.2 |
A Python package to extract chemical, biochemical, and bioactivity data from public databases like ORD, ChEMBL and PubChem. |
2025-08-05 00:28:55 |
| chemprop |
2.2.1 |
Molecular Property Prediction with Message Passing Neural Networks |
2025-08-01 16:25:18 |
| pandadock |
2.6.0 |
Next-Generation Molecular Docking with Novel PandaDock Algorithms |
2025-07-28 23:20:53 |
| farscore |
1.0.0 |
FARScore: A Synthetic Accseeibility Predictor based Fragment Assembly autoRegressive pretrain |
2025-07-24 09:40:37 |
| ringtail |
2.1.1 |
Package for creating database from virtual screening files and performing filtering on results. |
2024-12-12 18:13:35 |
| MDRMF |
0.0.12 |
Multidrug Resistance Machine Fishing |
2024-08-29 20:27:49 |
| qsarKit |
0.0.1 |
A Python package that offers robust predictive modeling using QSAR for evaluating the transfer of environmental contaminants in breast milk. It integrates multiple predictive models, provides synthetic data generation via GANs, and is tailored for researchers and health professionals. |
2024-05-08 15:53:39 |