Alternatives and similar repositories for Neural_PK

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

• USEPA / CompTox-PK-CvTdb
  ☆23Updated 2 months ago
• FDA / CiPA
  ☆33Updated last year
• JacksonBurns / astartes
  Better Data Splits for Machine Learning
  ☆86Updated last month
• dkaschek / dMod
  Dynamic modeling and parameter estimation in R
  ☆21Updated 6 months ago
• Open-Systems-Pharmacology / PK-Sim
  PK-Sim® is a comprehensive software tool for whole-body physiologically based pharmacokinetic modeling
  ☆129Updated this week
• certara / pyDarwin
  Python solution for the application of machine learning to Pop PK model selection.
  ☆27Updated last month
• rinikerlab / GHOST
  ☆49Updated 3 years ago
• aamini / chemprop
  Fast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual scree…
  ☆124Updated 4 years ago
• PKPDAI / PKDocClassifier
  Binary classifier to identify scientific publications reporting pharmacokinetic parameters estimated in vivo
  ☆19Updated last year
• NIEHS / OPERA
  Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…
  ☆80Updated 2 months ago
• DavAug / chi
  Chi is an open source Python package which is designed for PKPD modelling and model-informed precision dosing (MIPD).
  ☆10Updated last week
• Novartis / UNIQUE
  A Python library for benchmarking uncertainty estimation and quantification methods for Machine Learning models predictions.
  ☆39Updated 11 months ago
• MSDLLCpapers / obsidian
  Algorithmic process optimization and AI experiment design
  ☆37Updated last month
• AlexandriaChemistry / ACT
  Alexandria Chemistry Toolkit
  ☆14Updated this week
• sparks-baird / dist-matrix
  Fast Numba-enabled CPU and GPU computations of Earth Mover's (scipy.stats.wasserstein_distance) and Euclidean distances.
  ☆18Updated 8 months ago
• ur-whitelab / maxent
  MaxEnt code for fitting simulation outcomes/statistical models to observations
  ☆16Updated 3 years ago
• Open-Systems-Pharmacology / OSP-PBPK-Model-Library
  Library of released PBPK substance models and evaluation reports
  ☆31Updated this week
• nmrML / nmrML
  nmrML is an open mark-up language for NMR data. This is the official repository for development of the nmrML schema and NMR ontology.
  ☆30Updated 6 months ago
• PatWalters / solubility
  An implementation of Delaney's ESOL method using the RDKit
  ☆59Updated 7 years ago
• Exscientia / molflux
  A foundational package for molecular predictive modelling
  ☆95Updated 11 months ago
• VlachosGroup / nextorch
  Experimental design and Bayesian optimization library in Python/PyTorch
  ☆53Updated last year
• Mengjintao / SolCuration
  ☆10Updated 4 years ago
• ClementiGroup / LSDMap-DM-d-MD
  Locally-Scaled Diffusion Maps, DM-d-MD
  ☆12Updated 9 years ago
• aspuru-guzik-group / atlas
  A brain for self-driving laboratories
  ☆42Updated 4 months ago
• stevenshave / pybindingcurve
  Binding curve simulation and experimental data fitting for multi component protein-ligand systems
  ☆17Updated 10 months ago
• BiomedSciAI / biomed-multi-view
  This repository contains the implementation of the Multi-view Molecular Embedding with Late Fusion (MMELON) architecture. MMELON combines…
  ☆39Updated 3 months ago
• timothygrant80 / cisTEM
  ☆40Updated last week
• lamalab-org / pyepal
  Multiobjective active learning with tunable accuracy/efficiency tradeoff and clear stopping criterion.
  ☆41Updated 6 months ago
• asapdiscovery / asap-polaris-blind-challenge-examples
  ☆13Updated 3 months ago
• InsightRX / PKPDsim
  Simulate PK-PD models defined as ODE systems
  ☆42Updated this week