GitHub topics: toxicity-prediction
Amincheminfom/pDILI_v1
pDILI_v1 is a python package that allows users to predict the association of drug-induced liver injury of a small molecule (1 = RISKy, 0 = Non-RISKy) and also visualize the molecule.
Language: Python - Size: 6.97 MB - Last synced at: 10 days ago - Pushed at: 10 days ago - Stars: 0 - Forks: 1
sunilpanda14/PolyToxiQ
A Polymer Toxicity Prediction Tool using PSMILE Strings
Language: Python - Size: 38.1 MB - Last synced at: 20 days ago - Pushed at: 20 days ago - Stars: 0 - Forks: 0
raghavagps/toxinpred3
An improved method for predicting toxicity of the peptides and designing of non-toxic peptides
Language: Python - Size: 9.65 MB - Last synced at: 1 day ago - Pushed at: 9 months ago - Stars: 12 - Forks: 2
PaccMann/chemical_representation_learning_for_toxicity_prediction
Chemical representation learning paper in Digital Discovery
Language: Jupyter Notebook - Size: 975 KB - Last synced at: 11 days ago - Pushed at: 11 months ago - Stars: 59 - Forks: 16
MMVSL/VenomPred2.0
VenomPred 2.0 API
Size: 230 MB - Last synced at: 2 months ago - Pushed at: 2 months ago - Stars: 10 - Forks: 1
eungyeonglee-dev/GROVER-for-toxicity-prediction Fork of tencent-ailab/grover
This is a Pytorch implementation of the paper: Application of Self-Supervised Graph Transformers for Developing Classification Models for Tox21 Bioactivity and Regression Models to Predict Inhalation Toxicity Lethal Concentrations
Language: Python - Size: 59.8 MB - Last synced at: 4 months ago - Pushed at: 4 months ago - Stars: 0 - Forks: 0
pietroluigiwilli/Toxformer
Toxformer is an attempt at using transformers to predict the toxicity of molecules from their molecular structure using the T3DB database.
Language: Jupyter Notebook - Size: 108 MB - Last synced at: 6 months ago - Pushed at: 6 months ago - Stars: 7 - Forks: 0
filipsPL/tox24challenge
Dataset used in Tox24 challenge
Size: 2.56 MB - Last synced at: about 2 months ago - Pushed at: 7 months ago - Stars: 1 - Forks: 0
shubhamkrpandey19/protein_toxicity_prediction
The prediction_script will enable you to predict whether your query protein sequence is cardiotoxic, neurotoxic, and/or enterotoxic.
Language: R - Size: 1.47 MB - Last synced at: 12 months ago - Pushed at: 12 months ago - Stars: 0 - Forks: 1
ncats/ld50-multitask
Official repository for multitask deep learning models.
Language: Python - Size: 5.18 MB - Last synced at: about 1 year ago - Pushed at: over 4 years ago - Stars: 15 - Forks: 5
pulimeng/eToxPred
A simple tool to predict the general toxicity and calculate the synthesize accessibility (SA) score for small molecules.
Language: Python - Size: 54.2 MB - Last synced at: over 1 year ago - Pushed at: over 4 years ago - Stars: 32 - Forks: 14
JobinJohn24/Neurotoxiciy-of-Chemotherapy-Drugs
Drug Toxicity Predictor
Size: 86.9 KB - Last synced at: almost 2 years ago - Pushed at: about 2 years ago - Stars: 0 - Forks: 0
trynke/toxicity-prediction
University summer practice '21
Language: Jupyter Notebook - Size: 62.4 MB - Last synced at: almost 2 years ago - Pushed at: almost 4 years ago - Stars: 0 - Forks: 0
UnixJunkie/deepchem-playground
some scripts using deepchem
Language: Python - Size: 94.7 KB - Last synced at: 16 days ago - Pushed at: over 5 years ago - Stars: 3 - Forks: 2
margaritageleta/multilingual-toxicity-detector
NLP deep learning model for multilingual toxicity detection in text 📚
Language: Jupyter Notebook - Size: 3.74 MB - Last synced at: about 2 years ago - Pushed at: over 4 years ago - Stars: 4 - Forks: 0
