Skip to content

Commit

Permalink
Update README.md
Browse files Browse the repository at this point in the history
  • Loading branch information
@Sulstice
Sulstice committed Apr 8, 2022
1 parent 65a6c62 commit c77cb81
Showing 1 changed file with 15 additions and 15 deletions.
30 changes: 15 additions & 15 deletions README.md
View file
Original file line number Diff line number Diff line change
Expand Up @@ -267,22 +267,22 @@ Extension List

| Extension | Description | Status |
|-----------|-------------|--------|
| GlobalChem Entities | GlobalChem has internal DNA/RNA/Protein/Molecule objects with all common attributes associated and conversion to SMILES | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://img.shields.io/badge/status-maintained-green) |
| ForceField Molecules | GlobalChem can parse, manipulate, and write CGenFF and GaFF2 files as objects | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://img.shields.io/badge/status-maintained-green) |
| PDF Generation and Parsing | GlobalChem can generate SMILES to PDF and convert the PDF to SMILES | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://img.shields.io/badge/status-maintained-green) |
| GlobalChem Entities | GlobalChem has internal DNA/RNA/Protein/Molecule objects with all common attributes associated and conversion to SMILES | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://sulstice.gitbook.io/globalchem-your-chemical-graph-network/entities/globalchem-molecule) |
| ForceField Molecules | GlobalChem can parse, manipulate, and write CGenFF and GaFF2 files as objects | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://sulstice.gitbook.io/globalchem-your-chemical-graph-network/entities/cgenffmolecule) |
| PDF Generation and Parsing | GlobalChem can generate SMILES to PDF and convert the PDF to SMILES | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://sulstice.gitbook.io/globalchem-your-chemical-graph-network/cheminformatics/pdf-parsing) |
| SMILES Validation | GlobalChem has connection to PySMILES, DeepSMILES, PartialSmiles, SELFIES, MolVS for validation of SMILES sets | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://img.shields.io/badge/status-maintained-green) |
| SMILES Protonation States | GlobalChem can take a set of compounds and predict the protonation states of a SMILES string over a range of pH | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://img.shields.io/badge/status-maintained-green) |
| Open Source Database Monitoring | GlobalChem uses Uptime-Cheminformatics to Keep Track of Open Source Chemical Data | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://img.shields.io/badge/status-maintained-green) |
| Networkx Software Adapter | GlobalChem Network can be converted into NetworkX Graph Objects | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://img.shields.io/badge/status-maintained-green) |
| SMARTS Pattern Validation | GlobalChem uses the MiniFrag Database to test SMARTS strings accuracy for functional group selection | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://img.shields.io/badge/status-maintained-green) |
| Principal Component Analysis | GlobalChem can readily interpret SMILES, fingerprint, cluster and apply PCA analysis user can tweak parameters | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://img.shields.io/badge/status-maintained-green) |
| Drug Design Filters | GlobalChem can filter compounds based on Common Drug Design Filtering Rules | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://img.shields.io/badge/status-maintained-green) |
| Deep Layer Scatter Analysis | To visualize relations between sets of molecules, GlobalChem offers a parallel coordinate diagram generation | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://img.shields.io/badge/status-maintained-green) |
| Sunbursting Radial Analysis | GlobalChem offers a sunbursting mechanism to allow uses to observe how sets of compounds relate to the common set | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://img.shields.io/badge/status-maintained-green) |
| Graphing Templates | GlobalChem offers graphing templates to aid in faster data analysis, currently the only offer is Plotly | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://img.shields.io/badge/status-maintained-green) |
| CGenFF Dissimilarity Score | GlobalChem can offer the difference between two molecules based on their Atom Types | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://img.shields.io/badge/status-maintained-green) |
| OneHot Encoding | GlobalChem has it's own one hot encoder and decoder based on the common lists for Machine Learning | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://img.shields.io/badge/status-maintained-green) |
| SMARTS Pattern Identifier | GlobalChem connects to the SMARTS Plus and can offer visualization into different SMARTS components | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://img.shields.io/badge/status-maintained-green) |
| SMILES Protonation States | GlobalChem can take a set of compounds and predict the protonation states of a SMILES string over a range of pH | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://sulstice.gitbook.io/globalchem-your-chemical-graph-network/cheminformatics/dimorphitedl-protonation-states-over-range-of-ph) |
| Open Source Database Monitoring | GlobalChem uses Uptime-Cheminformatics to Keep Track of Open Source Chemical Data | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://sulstice.gitbook.io/globalchem-your-chemical-graph-network/development-operations/open-source-database-monitor) |
| Networkx Software Adapter | GlobalChem Network can be converted into NetworkX Graph Objects | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://sulstice.gitbook.io/globalchem-your-chemical-graph-network/interoperability/networkx-adapter) |
| SMARTS Pattern Identifier | GlobalChem uses the MiniFrag Database to test SMARTS strings accuracy for functional group selection | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://sulstice.gitbook.io/globalchem-your-chemical-graph-network/cheminformatics/smarts-pattern-identifier) |
| Principal Component Analysis | GlobalChem can readily interpret SMILES, fingerprint, cluster and apply PCA analysis user can tweak parameters | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://sulstice.gitbook.io/globalchem-your-chemical-graph-network/machine-learning/principal-component-analysis) |
| Drug Design Filters | GlobalChem can filter compounds based on Common Drug Design Filtering Rules | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://sulstice.gitbook.io/globalchem-your-chemical-graph-network/cheminformatics/drug-design-filters) |
| Deep Layer Scatter Analysis | To visualize relations between sets of molecules, GlobalChem offers a parallel coordinate diagram generation | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://sulstice.gitbook.io/globalchem-your-chemical-graph-network/machine-learning/deep-layer-scatter) |
| Sunbursting Radial Analysis | GlobalChem offers a sunbursting mechanism to allow uses to observe how sets of compounds relate to the common set | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://sulstice.gitbook.io/globalchem-your-chemical-graph-network/machine-learning/sunbursting) |
| Graphing Templates | GlobalChem offers graphing templates to aid in faster data analysis, currently the only offer is Plotly | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://sulstice.gitbook.io/globalchem-your-chemical-graph-network/graphing-templates/plotly-template) |
| CGenFF Dissimilarity Score | GlobalChem can offer the difference between two molecules based on their Atom Types | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://sulstice.gitbook.io/globalchem-your-chemical-graph-network/forcefields/cgenff-dissimilarity-score) |
| OneHot Encoding | GlobalChem has it's own one hot encoder and decoder based on the common lists for Machine Learning | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://sulstice.gitbook.io/globalchem-your-chemical-graph-network/machine-learning/one-hot-encoding) |
| SMARTS Pattern Visualizer | GlobalChem connects to the SMARTS Plus and can offer visualization into different SMARTS components | [![Downloads](https://img.shields.io/badge/status-maintained-green)](https://sulstice.gitbook.io/globalchem-your-chemical-graph-network/cheminformatics/smarts-pattern-visualizing) |

Open Source Software Compliance
===============================
Expand Down

0 comments on commit c77cb81

Please sign in to comment.