Alternatives and similar repositories for phil_LNP_modelling

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

• wiederm / pkasolver-data
  Data repository for pkasolver
  ☆12Updated 3 years ago
• larngroup / De-Novo-Drug-Design
  Optimizing blood-brain barrier permeation through Deep Reinforcement Learning for de novo drug design
  ☆14Updated 4 years ago
• iwatobipen / vs_vina
  ☆13Updated 4 years ago
• zqfang / drugai
  Graph Neural Networks for Drug Efficacy Prediction
  ☆11Updated 3 years ago
• edbeard / pyosra
  Python wrapper for OSRA. Supports R-Group logic and integration with ChemSchematicResolver
  ☆10Updated 5 years ago
• LBLQMM / MACAW
  ☆14Updated 3 years ago
• n-yoshikawa / ob-fragment-generation
  ☆13Updated 6 years ago
• bbyun28 / QSAR-DrugDiscovery-with-RDkit
  ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model
  ☆15Updated 5 years ago
• sb-ncbr / AtomicChargeCalculator
  Atomic Charge Calculator III (ACC III) is an application for fast calculation of partial atomic charges.
  ☆15Updated 2 weeks ago
• dkoes / GNINA-1.0
  Paper for release
  ☆11Updated 4 years ago
• Saminakausar / Automated-framework-for-QSAR-model-building
  ☆10Updated 6 years ago
• moldyn / Clustering
  Robust and stable clustering of molecular dynamics simulation trajectories.
  ☆19Updated 3 years ago
• michael1788 / hybridCLMs
  Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»
  ☆12Updated 3 years ago
• marcossantanaioc / De_novo_design_SARSCOV2
  Notebooks and files from the paper De novo Design and Bioactivity Prediction of SARS-CoV-2 Main Protease Inhibitors using Recurrent Neura…
  ☆14Updated 3 years ago
• xiaotaw / chembl
  Prediction of Potential Inhibitors for Targets(From ChEMBL), Based on Tensorflow.
  ☆15Updated 7 years ago
• PrincetonUniversity / running_gromacs
  ☆11Updated 3 months ago
• haiping1010 / DeepBindRG
  ☆16Updated 6 years ago
• Degiacomi-Lab / JabberDock
  protein docking using a density-based descriptor for atoms charge and dynamics
  ☆14Updated 3 years ago
• samoturk / mol2vec_notebooks
  Mol2vec notebooks for use with Binder service
  ☆29Updated 7 years ago
• phi-grib / flame
  Modeling framework for eTRANSAFE project
  ☆13Updated 6 months ago
• FredrikSvenssonUK / tox21_conformal
  ☆12Updated 4 years ago
• lucianlschan / Conformer-Geometry
  ☆12Updated 7 years ago
• MolecularAI / Deep-Drug-Coder
  ☆17Updated 2 years ago
• arhamshah / SolubilityPrediction
  A web based application predicts water solubility of any given chemical compound known or unknown
  ☆14Updated 4 years ago
• jidushanbojue / YaSAScore
  Prediction of compound synthesis accessibility bashed on reaction knowledge graph
  ☆17Updated 3 years ago
• jenniening / DTNN_7ib
  This is a deep learning model used to predict molecular energy
  ☆13Updated 6 years ago
• zoecournia / FEPrepare
  ☆10Updated 4 years ago
• pzc / herg_chembl_jcim
  RDKit code for the JCIM article
  ☆17Updated 12 years ago
• ahmetrifaioglu / DEEPScreen
  Drug-Target Interaction Prediction Using Convolutional Neural Networks By Images of Compounds
  ☆10Updated 5 years ago
• Gardner-BinfLab / SoDoPE_paper_2020
  ☆11Updated 5 years ago