isidroc / kekulescope

Related projects: ⓘ

• jgmeyerucsd / drug-class
  comparing drug classification methods
  ☆18Updated 4 years ago
• Novartis / MoaBox
  A repository of compound-target annotations in support of Systematic Chemogenetic Library Assembly
  ☆16Updated 4 years ago
• hkmztrk / SMILESbasedSimilarityKernels
  ☆15Updated 6 years ago
• ram-compbio / CANDO
  Computational Analysis of Novel Drug Opportunities
  ☆35Updated last month
• CSBG-LSU / BionoiNet
  Pytorch implementation of BionoiNet, which is a deep learning-based software to classify ligand-binding sites.
  ☆19Updated 3 years ago
• AlzbetaTuerkova / Drug-Repurposing-in-KNIME
  An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data
  ☆13Updated 3 years ago
• isidroc / bioalerts
  Derivation of structural alerts from bioactivity data sets
  ☆29Updated 8 years ago
• GHDDI-AILab / Targeting2019-nCoV
  Information sharing portal about nCov/SARS/MERS for drug discovery
  ☆38Updated 8 months ago
• PaccMann / paccmann_predictor
  PyTorch implementation of bimodal neural networks for drug-cell (pharmarcogenomics) and drug-protein (proteochemometrics) interaction pre…
  ☆44Updated 3 months ago
• cansyl / MDeePred
  Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery
  ☆27Updated 3 years ago
• aqlaboratory / hsm
  Code associated with "Biophysical prediction of protein-peptide interactions and signaling networks using machine learning."
  ☆70Updated 4 months ago
• Shen-Lab / BAL
  Bayesian Active Learning for Optimization and Uncertainty Quantification with Applications to Protein Docking
  ☆13Updated 3 years ago
• samoturk / mol2vec_notebooks
  Mol2vec notebooks for use with Binder service
  ☆29Updated 6 years 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
• alexarnimueller / modlAMP
  Python package for peptide sequence generation, peptide descriptor calculation and sequence analysis.
  ☆51Updated last year
• cyclica / deriver
  ☆10Updated last year
• brianhie / uncertainty
  Learning with uncertainty for biological discovery and design
  ☆33Updated last year
• reymond-group / MLpeptide
  Machine Learning Designs Non-Hemolytic Antimicrobial Peptides
  ☆30Updated 3 years ago
• wsjeon92 / FP2VEC
  ☆17Updated 4 years ago
• wenhao-gao / askcos_synthesizability
  ☆27Updated last year
• swansonk14 / chemprop-factor
  Matrix factorization and deep learning for molecular property prediction
  ☆12Updated 5 years ago
• Svvord / visar
  ☆13Updated 4 years ago
• Faezov / PDBrenum
  ☆27Updated 4 months ago
• NasimAbdollahi / NodeCoder
  NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.
  ☆28Updated 4 months ago
• Saminakausar / Automated-framework-for-QSAR-model-building
  ☆9Updated 5 years ago
• ci-lab-cz / ibenchmark
  Benchmark interpretation of QSAR models
  ☆14Updated 2 years ago
• GIST-CSBL / HoTS
  HoTS: Sequence-based prediction of binding regions and drug-target interactions.
  ☆25Updated last year
• sdecesco / targetDB
  TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available ab…
  ☆27Updated 2 months ago
• emmijokinen / mgpfusion
  mGPfusion is a Gaussian process based method for predicting stability changes upon single and multiple mutations of proteins that comple…
  ☆15Updated 6 years ago
• SMVDGroup / SCORCH
  Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare.…
  ☆16Updated last year