iipharma / pharmamind-molminerLinks
PharmaMind® is an innovative drug discovery platform that integrates advanced artificial intelligence and computational simulation design techniques, which is suitable for real-world novel drug R&D.
☆25Updated 3 years ago
Alternatives and similar repositories for pharmamind-molminer
Users that are interested in pharmamind-molminer are comparing it to the libraries listed below
Sorting:
- ☆20Updated 2 years ago
- ☆26Updated 2 years ago
- Synthetic Bayesian Classification☆47Updated 4 years ago
- ☆17Updated 2 years ago
- Algorithmic inversion of extended connectivity fingerprints (ECFP)☆21Updated last year
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆36Updated last year
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆45Updated 3 years ago
- ☆35Updated last year
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆62Updated last year
- Scaffold decoration and fragment linking with chemical language models and RL☆26Updated 5 months ago
- ☆28Updated last year
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆27Updated 2 weeks ago
- ☆25Updated 2 years ago
- Code Space of SynLlama☆23Updated 3 months ago
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆37Updated last month
- ☆26Updated 2 years ago
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆27Updated 11 months ago
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆22Updated 2 years ago
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆22Updated last year
- The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.☆28Updated last year
- ☆37Updated last year
- Subpocket-based fingerprint for kinase pocket comparison☆34Updated last year
- Augmented Memory and Beam Enumeration implementation☆25Updated last year
- ☆27Updated 2 years ago
- Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility☆39Updated 4 years ago
- Cloud-based Drug Binding Structure Prediction☆38Updated 6 months ago
- Computational Chemistry Workflows☆55Updated 3 years ago
- eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.☆49Updated 5 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
- ☆17Updated 4 years ago