Alternatives and similar repositories for Neural_PK

Users that are interested in Neural_PK are comparing it to the libraries listed below

• FDA / CiPA
  ☆33Updated last year
• USEPA / CompTox-PK-CvTdb
  ☆22Updated last week
• SABS-R3-projects / PKPD
  A simple, graphical pharmacokinetic-pharmacodynamic modelling solution
  ☆18Updated 5 years ago
• JacksonBurns / astartes
  Better Data Splits for Machine Learning
  ☆83Updated 2 weeks ago
• rinikerlab / GHOST
  ☆49Updated 2 years ago
• IBM / multitask-toxicity
  Repository for Multitask Toxicity with Contrastive Explanation
  ☆12Updated 2 years ago
• PKPDAI / PKDocClassifier
  Binary classifier to identify scientific publications reporting pharmacokinetic parameters estimated in vivo
  ☆18Updated last year
• itakigawa / pyg_chemprop
  A concise and easy-to-customize reimplementation of "ChemProp" (Yang et al, 2019) in PyTorch Geometric.
  ☆22Updated 2 years ago
• matthiaskoenig / pkdb
  Pharmacokinetics database
  ☆34Updated 11 months ago
• Open-Systems-Pharmacology / PK-Sim
  PK-Sim® is a comprehensive software tool for whole-body physiologically based pharmacokinetic modeling
  ☆117Updated this week
• Exscientia / molflux
  A foundational package for molecular predictive modelling
  ☆95Updated 7 months ago
• aamini / chemprop
  Fast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual scree…
  ☆121Updated 3 years ago
• Academich / reaction_space_ptsne
  Visualizing the space of chemical reactions with the parametric (learnable) t-SNE.
  ☆15Updated 3 years ago
• BiomedSciAI / biomed-multi-view
  This repository contains the implementation of the Multi-view Molecular Embedding with Late Fusion (MMELON) architecture. MMELON combines…
  ☆33Updated this week
• sirimullalab / openDMPK
  Open Drug Metabolism & PharmacoKinetics (OpenDMPK) is an open source data resource and toolkit for predicting drug metabolism and pharmac…
  ☆26Updated 3 years ago
• Novartis / pQSAR
  Massively multitask stacked model for predicting activity of thousands of biological assays
  ☆34Updated 3 years ago
• openochem / openochem
  ☆18Updated this week
• yigbt / deepFPlearn
  Link molecular structures of chemicals (in form of topological fingerprints) with multiple targets
  ☆10Updated 5 months ago
• AlexandriaChemistry / ACT
  Alexandria Chemistry Toolkit
  ☆12Updated this week
• certara / pyDarwin
  Python solution for the application of machine learning to Pop PK model selection.
  ☆26Updated this week
• davidbuterez / mf-pcba
  Source code accompanying the 'MF-PCBA: Multi-fidelity high-throughput screening benchmarks for drug discovery and machine learning' paper
  ☆24Updated 2 years ago
• Novartis / UNIQUE
  A Python library for benchmarking uncertainty estimation and quantification methods for Machine Learning models predictions.
  ☆35Updated 8 months ago
• Novartis / pqsar2cpd
  pqsar2cpd is a deep learning algorithm for translation of activity profiles into novel molecules.
  ☆30Updated last year
• vfscalfani / CSN_tutorial
  Jupyter Notebook Tutorials for Creating Chemical Space Networks
  ☆35Updated last year
• asapdiscovery / asap-polaris-blind-challenge-examples
  ☆13Updated last month
• bayer-science-for-a-better-life / neuraldecipher
  Implementation of the paper "Neuraldecipher - Reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structure…
  ☆26Updated 4 years ago
• Bayer-Group / CPMolGAN
  ☆8Updated 2 years ago
• molecularinformatics / Computational-ADME
  ☆88Updated last year
• cthoyt / chembl-downloader
  Write reproducible code for getting and processing ChEMBL
  ☆76Updated 3 weeks ago
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆115Updated 2 years ago