Kohulan / DECIMER-JavaLinks
Deep Learning for Chemical Image Recognition (DECIMER)
☆18Updated 4 years ago
Alternatives and similar repositories for DECIMER-Java
Users that are interested in DECIMER-Java are comparing it to the libraries listed below
Sorting:
- Synthetic Bayesian Classification☆47Updated 4 years ago
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆38Updated last year
- ☆17Updated last year
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 5 years ago
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆23Updated 2 years ago
- Direct-to-SVG small molecule drawer.☆30Updated 9 months ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆45Updated 3 years ago
- Scaffold decoration and fragment linking with chemical language models and RL☆26Updated 8 months ago
- ☆27Updated 4 years ago
- Implementation of the paper "Neuraldecipher - Reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structure…☆26Updated 5 years ago
- Modeling Tanimoto distributions for RDKit☆18Updated 5 years ago
- A bayesian retrosynthesis algorithm☆13Updated 4 years ago
- ☆28Updated last year
- Chemistry-related Python utilities used in the RXN universe☆25Updated last year
- ☆21Updated last year
- ☆29Updated 2 years ago
- Updated version of Silicos-it's shape-based alignment tool☆43Updated 2 months ago
- ☆32Updated 7 months ago
- ☆47Updated 5 years ago
- ☆27Updated 4 years ago
- python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors☆27Updated 4 years ago
- Various tutorials about MD setup and analysis, protein-ligand docking, machine learning and lots of other interesting things.☆35Updated 4 years ago
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Updated 2 years ago
- ReTReK: data-driven ReTrosynthesis planning application using Retrosynthesis Knowledge☆35Updated 2 years ago
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆48Updated 4 years ago
- The source code for ADME@NCATS application that hosts prediction models for ADME properties. Link to application: https://opendata.ncats.…☆39Updated last week
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆65Updated last year
- ☆37Updated 2 years ago
- ☆35Updated last year
- Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/☆19Updated 3 years ago