duaibeom-zz / MolFinderLinks
☆17Updated 4 years ago
Alternatives and similar repositories for MolFinder
Users that are interested in MolFinder are comparing it to the libraries listed below
Sorting:
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆45Updated 3 years ago
- Synthetic Bayesian Classification☆47Updated 4 years ago
- ☆26Updated 2 years ago
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 5 years ago
- Molecular SMILE generation with recurrent neural networks☆20Updated 4 months ago
- Platforms to predict reactivity for substitution reactions.☆20Updated 4 years ago
- DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…☆46Updated last year
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆37Updated last year
- ☆26Updated last year
- A Deep Neural Network to predict small molecule torsion energy profiles with the accuracy of QM☆39Updated 2 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆28Updated 2 months ago
- PyL3dMD: Python LAMMPS 3D Molecular Descriptors Package☆31Updated last year
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆31Updated 5 months ago
- Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)☆24Updated 2 months ago
- Updated version of Silicos-it's shape-based alignment tool☆43Updated last month
- ☆27Updated last year
- ☆17Updated last year
- Scaffold decoration and fragment linking with chemical language models and RL☆26Updated 7 months ago
- ☆25Updated 3 years ago
- ☆23Updated 5 years ago
- ☆28Updated last year
- Code for paper "Human-in-the-Loop Assisted de Novo Molecular Design".☆23Updated 2 years ago
- ☆21Updated 2 years ago
- ☆12Updated 5 years ago
- Chemistry-related Python utilities used in the RXN universe☆25Updated last year
- ☆27Updated 2 years ago
- SMARTS sanitization☆32Updated 5 months ago
- Generate images of molecules and their properties for use in presentations and reports☆43Updated 3 years ago
- Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/☆19Updated 3 years ago
- ☆28Updated 6 months ago