rapodaca / dialectLinks
Documenting a subset of the SMILES language.
☆13Updated 3 years ago
Alternatives and similar repositories for dialect
Users that are interested in dialect are comparing it to the libraries listed below
Sorting:
- Algorithmic inversion of extended connectivity fingerprints (ECFP)☆23Updated last year
- Graph neural network for predicting NMR chemical shifts☆53Updated 3 years ago
- A molecular identifier and descriptor for all domains of chemistry.☆24Updated 9 months ago
- An implementation of Roger Sayle's smizip algorithm for short string compression, like SMILES strings☆11Updated 8 months ago
- ☆23Updated 4 years ago
- Experimental small molecule hydration free energy dataset☆30Updated 3 years ago
- A validating SMILES parser, with support for incomplete SMILES☆29Updated 9 months ago
- ☆37Updated 2 years ago
- DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.☆38Updated last month
- Materials from the (virtual) 2021 RDKit UGM☆38Updated 3 years ago
- ☆28Updated last year
- Probabilistic Inference for NOvel Therapeutics☆15Updated 3 years ago
- Create molecular hashes☆27Updated 6 years ago
- Given an RDKit molecule that does not sanitise, correct it until it does☆41Updated last year
- Molecular Property Prediction using GP with a SOAP kernel☆21Updated 4 years ago
- Deep learning for compound price prediction☆19Updated last year
- Machine learning workflows for the OpenADMET project☆23Updated this week
- A Fast Chemical Graph Generator☆86Updated 2 years ago
- ☆31Updated 2 years ago
- ChemCharts is a module that allows you to plot chemical space in various figure types☆16Updated 2 years ago
- Synthetic Bayesian Classification☆47Updated 4 years ago
- A knowledge-based method for determining small molecule binding "hotspots".☆37Updated last year
- A Python toolbox to work with molecular similarity☆43Updated last month
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆48Updated 4 years ago
- ☆27Updated 2 years ago
- Code to analyze SAR datasets for Nonadditivity☆19Updated 4 years ago
- Write reproducible code for getting and processing ChEMBL☆82Updated last month
- Repository for Chemical Perception Sampling Tools☆21Updated last year
- faster docking☆19Updated 4 years ago
- Synthesis generative model☆47Updated 5 months ago