LiYouBioinfo / DELTA-ToolkitLinks
DNA Encoded Library Data Analysis toolkit for DEL data analysis
☆9Updated last month
Alternatives and similar repositories for DELTA-Toolkit
Users that are interested in DELTA-Toolkit are comparing it to the libraries listed below
Sorting:
- DECL-Gen is a toolkit for DNA encoded library to provide the ability to create combinatorial libraries *in situ* and to easily evaluate n…☆9Updated 4 years ago
- Code available for the quantitative pharmacophores☆12Updated 2 years ago
- RDKit code for the JCIM article☆16Updated 11 years ago
- Atomic Charge Calculator II (ACC II) is an application for fast calculation of partial atomic charges.☆14Updated this week
- ☆16Updated 2 years ago
- ☆12Updated 6 years ago
- Gromacs molecular dynamics simulation analysis scripts☆10Updated 3 years ago
- This workflow includes Quantitative Structure-Activity Relationship (QSAR) models to predict the hERG-related cardiotoxicity of chemicals…☆8Updated 3 years ago
- An MPI based parallel implementation of Autodock Vina☆16Updated 5 years ago
- ☆14Updated 3 years ago
- Python API for Pharmer☆12Updated 6 years ago
- ☆10Updated 6 years ago
- Remove effects of truncated side-products from read count data of a DNA-encoded library.☆28Updated 5 years ago
- Derivation of structural alerts from bioactivity data sets☆30Updated 9 years ago
- Matrix factorization and deep learning for molecular property prediction☆13Updated 6 years ago
- Modeling Tanimoto distributions for RDKit☆17Updated 5 years ago
- ☆9Updated 3 years ago
- ☆31Updated 3 months ago
- PaDEL ws descriptors engine☆13Updated 7 years ago
- Generative RNN for molecule de novo design☆18Updated 3 years ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆11Updated 4 years ago
- Computational Analysis of Novel Drug Opportunities☆39Updated 2 months ago
- Python code that takes a SDF file as input to calculate the central nervous system multiparameter optimization (CNS MPO) score☆11Updated 6 years ago
- GPCRs modeling and docking with python☆9Updated last year
- Online solubility prediction tool (streamlit) that runs the top-performing ML model (AqSolPred).☆10Updated 8 months ago
- chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models☆17Updated 2 years ago
- ☆12Updated 8 months ago
- Supporting Information for "Prediction of Organic Compound Aqueous Solubility Using Interpretable Machine Learning"☆11Updated 2 years ago
- ☆23Updated 4 years ago
- A Generalised workflow for obtaining protein and peptide molecular structures, docking the peptide into the protein and running a molecul…☆12Updated 7 months ago