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:
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆45Updated 3 years ago
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆37Updated last year
- Synthetic Bayesian Classification☆47Updated 4 years ago
- A bayesian retrosynthesis algorithm☆13Updated 4 years ago
- ☆17Updated 4 years ago
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆23Updated 2 years ago
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Updated 2 years ago
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 5 years ago
- cime public repository☆32Updated 2 years ago
- ☆17Updated last year
- Twitter retrosynthesis bot☆13Updated 3 years ago
- Implementation of the paper "Neuraldecipher - Reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structure…☆26Updated 5 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆28Updated 2 months ago
- Chemistry-related Python utilities used in the RXN universe☆25Updated last year
- Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization☆13Updated 5 years ago
- ☆11Updated 2 years ago
- ☆26Updated 2 years ago
- ☆12Updated 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
- ☆25Updated last month
- ☆12Updated 5 years ago
- ☆31Updated 7 months ago
- Scaffold decoration and fragment linking with chemical language models and RL☆26Updated 7 months ago
- Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/☆19Updated 3 years ago
- An implementation of the Solubility Forecast Index (SFI)☆23Updated last month
- SMILES reading benchmark☆16Updated 7 years ago
- Updated version of Silicos-it's shape-based alignment tool☆43Updated last month
- Python API for Pharmer☆12Updated 6 years ago
- Direct-to-SVG small molecule drawer.☆27Updated 9 months ago
- Protein-Ligand Interaction Fingerprints☆21Updated 4 years ago