MolecularAI / aizynthfinderLinks
A tool for retrosynthetic planning
☆718Updated 2 months ago
Alternatives and similar repositories for aizynthfinder
Users that are interested in aizynthfinder are comparing it to the libraries listed below
Sorting:
- AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.☆565Updated last week
- Molecular Processing Made Easy.☆510Updated last year
- Robust representation of semantically constrained graphs, in particular for molecules in chemistry☆791Updated 3 months ago
- RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chem…☆326Updated last month
- Interaction Fingerprints for protein-ligand complexes and more☆441Updated 2 weeks ago
- ☆361Updated 3 months ago
- a molecular descriptor calculator☆429Updated last year
- Benchmarks for generative chemistry☆473Updated last year
- A deep learning framework for molecular docking☆768Updated last month
- Official data repository for the Open Reaction Database☆292Updated last month
- Tutorials to learn how to work with the RDKit☆295Updated 2 years ago
- Open Drug Discovery Toolkit☆449Updated 2 years ago
- Official Python client for accessing ChEMBL API☆415Updated 7 months ago
- PDBFixer fixes problems in PDB files☆573Updated 6 months ago
- Software package for computer aided synthesis planning☆237Updated last year
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆909Updated this week
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme …☆580Updated 2 months ago
- Practical Cheminformatics Tutorials☆1,074Updated last week
- Graph neural networks for molecular design.☆373Updated 2 years ago
- A package to identify matched molecular pairs and use them to predict property changes.☆249Updated 3 months ago
- Python wrapper for the PubChem PUG REST API.☆458Updated last week
- ☆390Updated 3 years ago
- Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations…☆242Updated 2 years ago
- CReM: chemically reasonable mutations framework☆242Updated 2 weeks ago
- A Python wrapper for PaDEL-Descriptor software☆213Updated 4 months ago
- A Euclidean diffusion model for structure-based drug design.☆448Updated 2 months ago
- Explainer for black box models that predict molecule properties☆336Updated 4 months ago
- bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.☆468Updated 10 months ago
- List of Molecular and Material design using Generative AI and Deep Learning☆859Updated this week
- Python wrapper for the IBM RXN for Chemistry API☆215Updated this week