Computational Medicine Laboratory - KIT
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EC_Coupling
EC_Coupling PublicCombination of mechanical (land 2017) model and electrical (Ohara-Rudy 2011) to simulate EC Coupling
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MultiConcGPU-pospro-naver
MultiConcGPU-pospro-naver PublicForked from kit-cml/MultiConcGPU-pospro
Stable version of multi concentration GPU (post processing only)(naver)
C++ 1
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QSAR-Consensus-Systemic_Local_Toxicity
QSAR-Consensus-Systemic_Local_Toxicity PublicDevelopment of a Consensus-Based QSAR Models for Enhanced Multi-Endpoint Prediction of Systemic and Local Toxicities
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ToxCML-Hybrid-mfCoQ-RASAR
ToxCML-Hybrid-mfCoQ-RASAR PublicToxCML is a large-scale hybrid mfCoQ-RASAR platform integrating consensus QSAR and read-across to predict 18 toxicity endpoints for 54,601 chemicals, featuring high external accuracy, a tiered appl…
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gpu_code_ground_up
gpu_code_ground_up Publiccell model simulation using GPU parallelisation but everything in one file
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Repositories
- DrugSimulation Public
- ProCMT-QSAR Public
ProCMT-QSAR: An Interpretable Target-Aware Protein-Conditioned Multimodal Multi-Task QSAR Model for Toxicity Prediction of Endocrine-Disrupting Chemicals
- ToxCML-Hybrid-mfCoQ-RASAR Public
ToxCML is a large-scale hybrid mfCoQ-RASAR platform integrating consensus QSAR and read-across to predict 18 toxicity endpoints for 54,601 chemicals, featuring high external accuracy, a tiered applicability domain, and SHAP-based interpretability for large-scale toxicity screening and hazard prioritization
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