MolVS
Structure validator
Tool for validating and standardizing chemical structures to improve data quality and facilitate comparisons.
Molecule Validation and Standardization
163 stars
19 watching
51 forks
Language: Python
last commit: almost 5 years ago
Linked from 1 awesome list
cheminformaticschemistrypythonrdkitstandardizationvalidation
Related projects:
Repository | Description | Stars |
---|---|---|
| Library to validate nested structs with their type specs and associated precondition functions. | 203 |
| Automated machine learning protocols for cheminformatics using Python | 39 |
| A library to simplify validation by providing a declarative way to define and reuse validation logic across multiple fields. | 59 |
| Calculates molecular properties from chemical formulas | 58 |
| A schema validation package for JavaScript objects with support for MongoDB update documents and customizable error messages | 560 |
| A numerical real-space code for molecular electronic structure calculations. | 30 |
| A Python toolkit for standardizing and analyzing molecular structures in chemically relevant formats. | 197 |
| A general purpose validation library for Common Lisp | 19 |
| Converts chemical names to their structural representations using Systematic IUPAC Nomenclature | 161 |
| A PHP validation library designed to validate data against user-defined schemas, providing detailed information on invalid nodes. | 44 |
| A Julia-based toolkit for graph-based molecule modeling and chemoinformatics analysis | 202 |
| A software framework for multi-view latent variable modeling with domain-informed structured sparsity | 27 |
| A Python-centric template for creating computational molecular sciences packages | 404 |
| A Python class for working with chemical formulas, providing parsing, formatting, and calculation capabilities. | 25 |
| A library that provides declarative dictionary-based model classes for building and serializing data structures in Python. | 103 |