toxindex
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PKPD
PKPD PublicPKPD Platform: Pharmacokinetics, Pharmacodynamics, and Toxicity Prediction using SciPy alternatives
Python
Repositories
- selfies Public Forked from aspuru-guzik-group/selfies
Robust representation of semantically constrained graphs, in particular for molecules in chemistry
toxindex/selfies’s past year of commit activity - rxnfp Public Forked from rxn4chemistry/rxnfp
Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space of chemical reactions using attention-based neural networks" (http://rdcu.be/cenmd).
toxindex/rxnfp’s past year of commit activity - chemicalx Public Forked from AstraZeneca/chemicalx
A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
toxindex/chemicalx’s past year of commit activity - rhizome Public
Central knowledge graph for toxicology evidence - connecting chemicals, targets, claims, and predictions across PROVETox, BioBricks, and ToxJobs
toxindex/rhizome’s past year of commit activity - fork-gh-TranslatorSRI-SLASH-Plater Public Forked from TranslatorSRI/Plater
Plater automatically creates a TRAPI interface for a biolink-compliant neo4j graph.
toxindex/fork-gh-TranslatorSRI-SLASH-Plater’s past year of commit activity - fork-gh-PatWalters-SLASH-useful_rdkit_utils Public Forked from PatWalters/useful_rdkit_utils
Some useful RDKit functions
toxindex/fork-gh-PatWalters-SLASH-useful_rdkit_utils’s past year of commit activity - fork-gh-openkinome-SLASH-kinoml Public Forked from openkinome/kinoml
Structure-informed machine learning for kinase modeling
toxindex/fork-gh-openkinome-SLASH-kinoml’s past year of commit activity - fork-gh-pyg-team-SLASH-pytorch_geometric Public Forked from pyg-team/pytorch_geometric
Graph Neural Network Library for PyTorch
toxindex/fork-gh-pyg-team-SLASH-pytorch_geometric’s past year of commit activity - fork-gh-openmm-SLASH-openmm Public Forked from openmm/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
toxindex/fork-gh-openmm-SLASH-openmm’s past year of commit activity - fork-gh-ersilia-os-SLASH-ersilia Public Forked from ersilia-os/ersilia
The Ersilia Model Hub, a repository of AI/ML models for infectious and neglected disease research.
toxindex/fork-gh-ersilia-os-SLASH-ersilia’s past year of commit activity
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