Alternatives and similar repositories for DLSCORE

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

• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆75Updated last year
• pulimeng / DeepDrug3D
  A convolutional neural network for classifying binding pockets based on spatial and chemical information extracted from the pockets.
  ☆105Updated 4 years ago
• zhenglz / onionnet
  A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction
  ☆81Updated 5 years ago
• Graylab / deepH3-distances-orientations
  ☆35Updated 4 years ago
• jenniening / deltaVinaXGB
  This is a machine-learning based protein-ligand scoring function.
  ☆52Updated 5 years ago
• harryjubb / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆83Updated 3 years ago
• fimrie / DeLinker
  ☆38Updated 4 years ago
• vibudh2209 / D2
  Speed virtual screening by 50X
  ☆97Updated 2 years ago
• aretasg / dockit
  High-throughput molecular docking with multiple targets and ligands using Vina series engines
  ☆33Updated 5 years ago
• oddt / rfscorevs
  RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening
  ☆49Updated 6 years ago
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆91Updated 3 months ago
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆71Updated 9 months ago
• clauswilke / PeptideBuilder
  A simple Python library to generate model peptides
  ☆89Updated 5 years ago
• jamesgleave / Deep-Docking-NonAutomated
  ☆52Updated 3 years ago
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆118Updated 2 years ago
• cieplinski-tobiasz / smina-docking-benchmark
  ☆76Updated 3 years ago
• sarisabban / RamaNet
  Preforms De novo protein design using machine learning and PyRosetta to generate a novel protein structure
  ☆52Updated 9 months ago
• stan-his / DeepFMPO
  Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"
  ☆70Updated 4 years ago
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆126Updated 2 years ago
• Vfold-RNA / RLDOCK
  ☆33Updated last year
• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆58Updated this week
• DrrDom / pmapper
  3D pharmacophore signatures and fingerprints
  ☆111Updated 7 months ago
• dwhswenson / contact_map
  Contact map analysis for biomolecules; based on MDTraj
  ☆46Updated 11 months ago
• czodrowskilab / VSFlow
  ☆98Updated 9 months ago
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆36Updated last week
• eliberis / parapred
  Paratope Prediction using Deep Learning
  ☆61Updated 2 years ago
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆55Updated last month
• alexarnimueller / LSTM_peptides
  Long short-term memory recurrent neural networks for learning peptide and protein sequences to later design new, similar examples.
  ☆77Updated 2 years ago
• LLNL / FAST
  Fusion models for Atomic and molecular STructures (FAST)
  ☆92Updated 2 years ago
• Boehringer-Ingelheim / pyPept
  pyPept: a python library to generate atomistic 2D and 3D representations of peptides
  ☆83Updated last month