Elizachem / SMRT_transfer

Related projects ⓘ

Alternatives and complementary repositories for SMRT_transfer

• TieuLongPhan / SynTemp
  Graph based Reaction Template Extraction
  ☆19Updated last week
• Qiong-Yang / GNN-RT
  ☆14Updated 2 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
  ☆14Updated 4 years ago
• XiminHu / mass-suite
  ☆21Updated 9 months ago
• JosieHong / 3DMolMS
  [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations
  ☆16Updated last month
• HuanLab / ISFrag
  A bioinformatic tool facilitating automated in-source fragmentation identification
  ☆10Updated 2 years ago
• BIMSBbioinfo / CompassDock
  Official Implementation of CompassDock
  ☆14Updated last month
• bbyun28 / QSAR-DrugDiscovery-with-RDkit
  ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model
  ☆12Updated 4 years ago
• merlin-ms / awesome-mass-spectral-libraries
  ☆14Updated 6 months ago
• MRMkit / MRMkit
  ☆8Updated 2 months ago
• zjujdj / MetalProGNet
  ☆12Updated 4 months ago
• yydiao1025 / MacFrag
  ☆18Updated last year
• FelixBaensch / MORTAR
  MOlecule fRagmenTAtion fRamework
  ☆20Updated this week
• hcji / PyCFMID
  This package is a python warpper for CFM-ID
  ☆11Updated 2 years ago
• Saminakausar / Automated-framework-for-QSAR-model-building
  ☆9Updated 5 years ago
• davidbuterez / mf-pcba
  Source code accompanying the 'MF-PCBA: Multi-fidelity high-throughput screening benchmarks for drug discovery and machine learning' paper
  ☆23Updated last year
• NasimAbdollahi / NodeCoder
  NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.
  ☆30Updated 6 months ago
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆23Updated last year
• murphy17 / graff-ms
  Efficiently predicting high resolution mass spectra with graph neural networks
  ☆24Updated last year
• cbouy / ProLIF
  Protein-Ligand Interaction Fingerprints
  ☆19Updated 3 years ago
• pzc / herg_chembl_jcim
  RDKit code for the JCIM article
  ☆16Updated 11 years ago
• taoshen99 / AutoMolDesigner
  The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.
  ☆18Updated 6 months ago
• smiles724 / MROT
  ☆12Updated last year
• samgoldman97 / enz-pred
  ☆16Updated 2 years ago
• kimeguida / POEM
  Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition
  ☆14Updated last year
• whymin / HOB
  Machine learning model for predicting Human Oral Bioavailability
  ☆13Updated 2 years ago
• cadd-synthetic / GASA
  Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism
  ☆20Updated last year
• kimeguida / ProCare
  ProCare: A Point Cloud Registration Approach to Align Protein Cavities
  ☆29Updated last year
• pgniewko / solubility
  My (small) research project in solubility of drug-like molecules
  ☆18Updated 3 years ago
• guyuehuo / opendock
  ☆24Updated 2 weeks ago