gmarshall33 / Optical-Chemical-Structure-RecognitionLinks
Input- hand-drawn image of molecule... Output- SMILES format molecule name
☆16Updated 6 years ago
Alternatives and similar repositories for Optical-Chemical-Structure-Recognition
Users that are interested in Optical-Chemical-Structure-Recognition are comparing it to the libraries listed below
Sorting:
- A web based application predicts water solubility of any given chemical compound known or unknown☆11Updated 4 years ago
- Python library for optimizing molecular structures and determining chemical reaction pathways.☆17Updated last year
- Hierarchical template correction for chemical reactions☆14Updated 11 months ago
- NMR Chemical Shifts from Molecular Dynamics Simulation☆13Updated 3 years ago
- ☆12Updated 6 years ago
- Automated analysis of LCMS data for high throughput chemistry experiments☆19Updated last month
- Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.☆33Updated 2 years ago
- Generate 3D transition state geometries with GNNs☆14Updated 4 years ago
- An introduction to machine learning for chemical property prediction☆21Updated 6 years ago
- Implementation of the SGNN graph neural network for 1H and 13C NMR prediction and a tool for distinguishing different molecules based on …☆15Updated last year
- Repository for Chemical Perception Sampling Tools☆21Updated 11 months ago
- ☆19Updated 2 years ago
- Chemical Database Expander. For a given target compound, it generates a virtual chemical bank of analogues by replacing the substructures…☆13Updated last year
- An integrated framework for chemical reaction feasibility prediction. This is a structured solution for one of the Chemistry Challenges o…☆11Updated 3 years ago
- Command line tool providing BOSS generated OPLS-AA/CM1A(-LBCC) parameters for organic molecules and ligands.☆11Updated 7 years ago
- Two algorithms to fragment molecules into specified molecular subunits (e.g. functional groups)☆35Updated 3 years ago
- An integrated web-based platform for molecular descriptor and fingerprint computation☆12Updated 8 years ago
- Chainer implementation of Graph Neural Networks for the Prediction of Substrate-Specific Organic Reaction Conditions☆10Updated 4 years ago
- Synthesis generative model☆46Updated 2 months ago
- RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch☆26Updated last year
- https://arxiv.org/abs/2102.11439☆20Updated 4 years ago
- ☆12Updated 4 years ago
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Updated 2 years ago
- GNN models and Datasets for Halogen BDEs☆10Updated last year
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆21Updated 4 months ago
- SMARTS: 'regular expressions' for chemical structures☆20Updated 7 years ago
- Chemistry-related Python utilities used in the RXN universe☆25Updated last year
- AARON (An Automated Reaction Optimizer for New catalysts) automates DFT optimizations of TS structures for asymmetric catalytic reactions…☆16Updated 4 years ago
- A Molecular Stereostructure Descriptor based on Spherical Projection☆12Updated last year
- ☆15Updated last month