ersilia-os / zaira-chem

Related projects ⓘ

Alternatives and complementary repositories for zaira-chem

• rdkit / UGM_2021
  Materials from the (virtual) 2021 RDKit UGM
  ☆38Updated 3 years ago
• NasimAbdollahi / NodeCoder
  NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.
  ☆30Updated 6 months ago
• molecularmodelinglab / plantain
  Fast and accurate molecular docking with an AI pose scoring function
  ☆37Updated 9 months ago
• PatWalters / practical_cheminformatics_posts
  Practical Cheminformatics Blog Posts
  ☆52Updated 2 weeks ago
• openkinome / kinodata
  Collection of scripts / notebooks to reliably select datasets
  ☆26Updated 9 months ago
• idrugLab / FP-GNN_CYP
  ☆14Updated 2 years ago
• Novartis / pqsar2cpd
  pqsar2cpd is a deep learning algorithm for translation of activity profiles into novel molecules.
  ☆30Updated last year
• ci-lab-cz / ibenchmark
  Benchmark interpretation of QSAR models
  ☆15Updated 2 years ago
• volkamerlab / ai_in_medicine
  ☆34Updated 2 years ago
• jidushanbojue / YaSAScore
  Prediction of compound synthesis accessibility bashed on reaction knowledge graph
  ☆16Updated 2 years ago
• martin-sicho / genui
  The backend services of the GenUI framework. The backend provides the REST API used for molecular generation, QSAR modelling and chemical…
  ☆31Updated 3 months ago
• GIST-CSBL / HoTS
  HoTS: Sequence-based prediction of binding regions and drug-target interactions.
  ☆25Updated 2 years ago
• rochoa85 / dockECR
  dockECR: open consensus docking and ranking protocol for virtual screening of small molecules
  ☆24Updated 3 years ago
• iwatobipen / chemo_info
  ☆32Updated 3 years ago
• volkamerlab / kissim
  Subpocket-based fingerprint for kinase pocket comparison
  ☆31Updated last year
• kimeguida / POEM
  Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition
  ☆14Updated last year
• Jnelen / DiffDockHPC
  DiffDock implementation that adds support for HPC execution using Slurm and Singularity
  ☆24Updated last month
• xchem / fragalysis
  A repo for analysis of ensembles of protein-ligand complexes
  ☆28Updated 11 months ago
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆60Updated 4 months ago
• aretasg / dockit
  High-throughput molecular docking with multiple targets and ligands using Vina series engines
  ☆29Updated 4 years ago
• prcurran / hotspots
  A knowledge-based method for determining small molecule binding "hotspots".
  ☆35Updated 6 months ago
• kimeguida / ProCare
  ProCare: A Point Cloud Registration Approach to Align Protein Cavities
  ☆29Updated last year
• Novartis / MoaBox
  A repository of compound-target annotations in support of Systematic Chemogenetic Library Assembly
  ☆16Updated 4 years ago
• czodrowskilab / VSFlow
  ☆84Updated last year
• novonordisk-research / pepfunn
  Python package for the analysis of natural and modified peptides using a set of modules to study their sequences
  ☆22Updated 3 weeks ago
• 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
• rochoa85 / PepFun
  Bioinformatics and Cheminformatics protocols for peptide analysis
  ☆35Updated last year
• oxpig / MolSnapper
  ☆22Updated 7 months ago
• CAODH / SurfDock
  SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction
  ☆49Updated 2 weeks ago
• protwis / protwis
  Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G pr…
  ☆34Updated this week