globus-labs / toxicity-predictionLinks
Collection of machine learning models for predicting toxicity of molecules
☆12Updated 5 years ago
Alternatives and similar repositories for toxicity-prediction
Users that are interested in toxicity-prediction are comparing it to the libraries listed below
Sorting:
- Matrix factorization and deep learning for molecular property prediction☆13Updated 6 years ago
- Code for KekuleScope☆11Updated 3 years ago
- comparing drug classification methods☆22Updated 5 years ago
- Official repository for multitask deep learning models.☆20Updated 5 years ago
- Mol2vec notebooks for use with Binder service☆29Updated 7 years ago
- Coloring molecules with explainable artificial intelligence☆16Updated 4 years ago
- Drug-Target Interaction Prediction Using Convolutional Neural Networks By Images of Compounds☆10Updated 5 years ago
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆15Updated 5 years ago
- Computational Analysis of Novel Drug Opportunities☆40Updated this week
- AAAI 2020: Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-like Molecules☆36Updated 3 years ago
- Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)☆32Updated last week
- HamidHadipour / Deep-clustering-of-small-molecules-at-large-scale-via-variational-autoencoder-embedding-and-K-means☆16Updated last year
- MolDesigner: Interactive Design of Efficacious Drugs with Deep Learning (NeurIPS 2020 Demo)☆16Updated 5 years ago
- Graph Neural Networks for Drug Efficacy Prediction☆11Updated 3 years ago
- My (small) research project in solubility of drug-like molecules☆18Updated 5 years ago
- Tutorial on the usage of Rdkit, Pandas, sklearn, machine learning, descriptor calculation, etc.. in the context of bioactivity predictive…☆14Updated 11 years ago
- Autonomous generator of novel organic compounds from target physicochemical properties. It accelerates innovations in novel materials and…☆17Updated 8 years ago
- Prediction of Potential Inhibitors for Targets(From ChEMBL), Based on Tensorflow.☆15Updated 7 years ago
- This is a deep learning model used to predict molecular energy☆13Updated 6 years ago
- ☆12Updated 4 years ago
- ☆10Updated 6 years ago
- Tool for mining structure-property relationships from chemical datasets☆16Updated 2 months ago
- Derivation of structural alerts from bioactivity data sets☆31Updated 9 years ago
- ☆17Updated 2 years ago
- ☆16Updated 8 years ago
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆23Updated 2 years ago
- An MPI based parallel implementation of Autodock Vina☆17Updated 5 years ago
- ☆17Updated 3 years ago
- Generative RNN for molecule de novo design☆20Updated 3 years ago
- ☆13Updated last year