gmarshall33 / Optical-Chemical-Structure-Recognition
Input- hand-drawn image of molecule... Output- SMILES format molecule name
☆15Updated 5 years ago
Related projects ⓘ
Alternatives and complementary repositories for Optical-Chemical-Structure-Recognition
- A web based application predicts water solubility of any given chemical compound known or unknown☆11Updated 3 years ago
- NMR Chemical Shifts from Molecular Dynamics Simulation☆11Updated 3 years ago
- Hierarchical template correction for chemical reactions☆14Updated 3 months ago
- Using quantum chemical computation to find important reactions without requiring human intuition.☆17Updated 6 years ago
- Python program for modelling and simulating polymers.☆27Updated 2 months ago
- Python library for optimizing molecular structures and determining chemical reaction pathways.☆12Updated 6 months ago
- PyL3dMD: Python LAMMPS 3D Molecular Descriptors Package☆24Updated 4 months ago
- https://arxiv.org/abs/2102.11439☆20Updated 3 years ago
- Implementation of the SGNN graph neural network for 1H and 13C NMR prediction and a tool for distinguishing different molecules based on …☆11Updated last year
- ☆11Updated 3 years ago
- This repository is the used for teaching the Physical Chemistry Practicum about Molecular Dynamics (MD) simulations for pharmacy and biol…☆11Updated 3 years ago
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆26Updated last year
- Notebooks demonstrating how to do simple tasks related to free energy calculations.☆38Updated this week
- ☆17Updated 3 years ago
- Repository for Chemical Perception Sampling Tools☆19Updated 3 months ago
- Automated analysis of LCMS data for high throughput chemistry experiments☆16Updated last month
- ☆18Updated last year
- Store your chemical data in a single file!☆12Updated 6 months ago
- Tool for mining structure-property relationships from chemical datasets☆16Updated 2 weeks ago
- Python script to lookup pKa values☆23Updated last month
- Twitter retrosynthesis bot☆11Updated 2 years ago
- The backend services of the GenUI framework. The backend provides the REST API used for molecular generation, QSAR modelling and chemical…☆31Updated 4 months ago
- WaterDock-2.0 implementation with Akshay Sridhar☆15Updated last year
- An automated framework for generating optimized partial charges for molecules☆32Updated last week
- ☆9Updated 3 years ago
- ☆14Updated last year
- Chemical Structure Handling for Pandas DataFrames☆32Updated last year
- Chemical Database Expander. For a given target compound, it generates a virtual chemical bank of analogues by replacing the substructures…☆13Updated 9 months ago
- RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch☆25Updated 9 months ago
- Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.☆31Updated 2 years ago