Alternatives and similar repositories for MolToxPred:

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

• osmoai / vexo
  Cheminformatics tools that work natively with Google tools such as Sheets and BigQuery
  ☆10Updated 9 months ago
• conda-forge / ambertools-feedstock
  A conda-smithy repository for ambertools.
  ☆11Updated 2 months ago
• iwatobipen / chemo_info
  ☆32Updated 2 weeks ago
• ram-compbio / CANDO
  Computational Analysis of Novel Drug Opportunities
  ☆36Updated 2 months ago
• ci-lab-cz / easydock
  Fully automated docking pipeline (can be run in distributed environments)
  ☆44Updated this week
• FelixBaensch / MORTAR
  MOlecule fRagmenTAtion fRamework
  ☆21Updated this week
• coleygroup / shepherd-score
  Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]
  ☆21Updated 3 months ago
• michellab / RBFENN
  ☆11Updated 2 years ago
• AstraZeneca / hsqc_structure_elucidation
  Implementation of the SGNN graph neural network for 1H and 13C NMR prediction and a tool for distinguishing different molecules based on …
  ☆15Updated last year
• AZCompTox / AZOrange
  AstraZeneca add-ons to Orange.
  ☆21Updated 4 years ago
• ASKCOS / askcos-core
  Python package for the ASKCOS platform for prediction of chemical reactivity
  ☆19Updated 3 years ago
• VlachosGroup / AIMSim
  A Python toolbox to work with molecular similarity
  ☆39Updated 8 months ago
• Steinbeck-Lab / cheminformatics-microservice
  This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.
  ☆39Updated last week
• aqlaboratory / QuickBind
  A Light-Weight And Interpretable Molecular Docking Model
  ☆20Updated 6 months ago
• cthoyt / chembl-downloader
  Write reproducible code for getting and processing ChEMBL
  ☆75Updated 2 months ago
• JacksonBurns / fastprop
  Fast Molecular Property Prediction with mordredcommunity
  ☆23Updated 3 weeks ago
• DarkoMedin / Morgan-fingerprints-exemplar-project-in-Python
  Exemplar project in areas of Data Science for de novo Compuational Drug discovery
  ☆10Updated 2 years ago
• 3D-e-Chem / 3D-e-Chem-VM
  Virtual machine with all software and sample data to run 3D-e-Chem Knime workflows
  ☆16Updated 6 years ago
• pablo-arantes / Cloud-Bind
  Cloud-based Drug Binding Structure Prediction
  ☆37Updated last month
• Novartis / pQSAR
  Massively multitask stacked model for predicting activity of thousands of biological assays
  ☆34Updated 3 years ago
• Novartis / UNIQUE
  A Python library for benchmarking uncertainty estimation and quantification methods for Machine Learning models predictions.
  ☆32Updated 7 months ago
• phi-grib / flame
  Modeling framework for eTRANSAFE project
  ☆13Updated last year
• NFDI4Chem / nmrxiv
  nmrXiv is currently developed as the FAIR, consensus-driven NMR data repository and computational platform. The ultimate goal is to accel…
  ☆17Updated last week
• srijitseal / hermessmiles
  A tool to compare two CSV files of SMILES strings, find overlapping compounds by InChIKey prefix, and generate an HTML visualization of …
  ☆14Updated 2 weeks ago
• baoilleach / partialsmiles
  A validating SMILES parser, with support for incomplete SMILES
  ☆26Updated 3 months ago
• vktrannguyen / MLSF-protocol
  ☆38Updated last year
• ncats / herg-ml
  ☆16Updated 2 years ago
• rxn4chemistry / OpenNMT-py
  RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch
  ☆26Updated last year
• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆53Updated this week
• recursionpharma / mole_public
  Recursion's molecular foundation model
  ☆47Updated 7 months ago