Alternatives and similar repositories for zaira-chem:

Users that are interested in zaira-chem are comparing it to the libraries listed below

• jamesgleave / Deep-Docking-NonAutomated
  ☆45Updated 2 years ago
• Novartis / pqsar2cpd
  pqsar2cpd is a deep learning algorithm for translation of activity profiles into novel molecules.
  ☆30Updated last year
• molecularmodelinglab / plantain
  Fast and accurate molecular docking with an AI pose scoring function
  ☆37Updated 11 months ago
• chupvl / awesome-ls-ventures
  Awesome list of the data and AI/ML related projects with direct Life Science Companies participation
  ☆33Updated 4 months ago
• openkinome / kinodata
  Collection of scripts / notebooks to reliably select datasets
  ☆28Updated last year
• Exscientia / molflux
  A foundational package for molecular predictive modelling
  ☆90Updated 3 months ago
• NasimAbdollahi / NodeCoder
  NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.
  ☆32Updated 8 months ago
• isidroc / RDkitTutorial
  Tutorial on the usage of Rdkit, Pandas, sklearn, machine learning, descriptor calculation, etc.. in the context of bioactivity predictive…
  ☆14Updated 10 years ago
• jidushanbojue / YaSAScore
  Prediction of compound synthesis accessibility bashed on reaction knowledge graph
  ☆16Updated 2 years ago
• LPDI-EPFL / masif-neosurf
  MaSIF-neosurf: surface-based protein design for ternary complexes.
  ☆73Updated 2 weeks ago
• Boehringer-Ingelheim / pyPept
  pyPept: a python library to generate atomistic 2D and 3D representations of peptides
  ☆67Updated 5 months ago
• sdecesco / targetDB
  TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available ab…
  ☆30Updated 6 months ago
• fimrie / DeLinker
  ☆38Updated 4 years ago
• czodrowskilab / VSFlow
  ☆86Updated last year
• AlzbetaTuerkova / Drug-Repurposing-in-KNIME
  An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data
  ☆14Updated 4 years ago
• GIST-CSBL / HoTS
  HoTS: Sequence-based prediction of binding regions and drug-target interactions.
  ☆25Updated 2 years ago
• whymin / HOB
  Machine learning model for predicting Human Oral Bioavailability
  ☆13Updated 3 years ago
• rwmontalvao / Melodia_py
  Protein Structure Analysis
  ☆51Updated 3 weeks ago
• rdkit / UGM_2021
  Materials from the (virtual) 2021 RDKit UGM
  ☆38Updated 3 years ago
• iwatobipen / py4chemoinformatics
  Python for chemoinformatics
  ☆50Updated 5 years ago
• PatWalters / practical_cheminformatics_posts
  Practical Cheminformatics Blog Posts
  ☆56Updated last week
• datamol-io / medchem
  Molecular filtering for drug discovery.
  ☆54Updated 3 weeks ago
• swansonk14 / admet_ai
  Training and prediction scripts for Chemprop models trained on ADMET datasets
  ☆117Updated 3 months ago
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆60Updated 7 months ago
• guyuehuo / opendock
  ☆41Updated last month
• rxn4chemistry / rxnaamapper
  Reaction SMILES-AA mapping via language modelling
  ☆29Updated 4 months ago
• XinhaoLi74 / MolPMoFiT
  ☆45Updated 2 years ago
• coleygroup / desp
  Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search (NeurIPS 2024)
  ☆20Updated last week
• BFeng14 / ActFound
  Official implementation for ActFound: A bioactivity foundation model using pairwise meta-learning
  ☆37Updated 3 months ago
• sriniker / TDT-tutorial-2014
  Tutorial for the Teach-Discover-Treat (TDT) Competition 2014 - Challenge 1: Anti-Malaria hit finding using classifier-fusion boosted pred…
  ☆23Updated 7 years ago