Alternatives and similar repositories for ugtm

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

• proteneer / khan
  ☆11Updated 6 years ago
• PatWalters / dissecting_hype
  Code to accompany my blog post "Dissecting the Hype With Cheminformatics"
  ☆12Updated 5 years ago
• keiserlab / keras-neural-graph-fingerprint
  Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015
  ☆46Updated 6 years ago
• reymond-group / faerun-python
  A python module for generating interactive views of chemical spaces.
  ☆74Updated 2 years ago
• rasbt / siteinterlock
  A novel approach to pose selection in protein-ligand docking based on graph theory.
  ☆20Updated 8 years ago
• debbiemarkslab / neural-fingerprint-theano
  Visual Convolutional Neural Graph Fingerprints in Theano/Lasagne
  ☆34Updated 8 years ago
• swansonk14 / chemprop-factor
  Matrix factorization and deep learning for molecular property prediction
  ☆13Updated 6 years ago
• bioinf-jku / FCD
  Fréchet ChemNet Distance: A quality measure for generative models for molecules
  ☆83Updated last year
• choderalab / ensembler
  Automated omics-scale protein modeling and simulation setup.
  ☆53Updated 3 years ago
• chennnnnyize-zz / Generative-Molecules
  ☆31Updated 7 years ago
• momeara / DeepSEA
  Similarity Ensemble Approach with deep learning substance fingerprints
  ☆61Updated 8 years ago
• rdkit / OCEAN
  OCEAN - Optimized Cross rEActivity estimatioN
  ☆11Updated 5 years ago
• undeadpixel / reinvent-gdb13
  A Recurrent Neural Network implementation that uses SMILES strings to generate molecules from GDB-13
  ☆30Updated 6 years ago
• sebotic / cdk_pywrapper
  A Python wrapper for the Chemistry Development Kit (CDK)
  ☆33Updated 6 years ago
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆64Updated 5 years ago
• Ryan-Rhys / FlowMO
  Library for training Gaussian Processes on Molecules
  ☆36Updated 3 years ago
• vogt-m / ccbmlib
  Modeling Tanimoto distributions for RDKit
  ☆17Updated 5 years ago
• hsidky / dmaps
  C++ Accelerated Python Diffusion Maps Library
  ☆23Updated 6 years ago
• ml-jku / hti-cnn
  ☆12Updated 3 years ago
• itakigawa / pyg_chemprop
  A concise and easy-to-customize reimplementation of "ChemProp" (Yang et al, 2019) in PyTorch Geometric.
  ☆23Updated 3 years ago
• FausticSun / DeepPL
  Predicting Protein – Ligand Interaction by using Deep Learning Models
  ☆11Updated 6 years ago
• mdtraj / nma
  Normal Mode Analysis for Macromolecules
  ☆18Updated 8 years ago
• daiki-ko / Metric_MHG-VAE
  ☆10Updated 4 years ago
• emmijokinen / mgpfusion
  mGPfusion is a Gaussian process based method for predicting stability changes upon single and multiple mutations of proteins that comple…
  ☆15Updated 7 years ago
• GLambard / SMILES-X
  Autonomous characterization of molecular compounds from small datasets without descriptors
  ☆44Updated 3 weeks ago
• rdkit / UGM_2018
  2018 RDKit UGM
  ☆14Updated 6 years ago
• lhm30 / PIDGIN
  Prediction IncluDinG INactives (**OLD VERSION**) NEW VERSION: https://github.com/lhm30/PIDGINv2)
  ☆13Updated 8 years ago
• PatWalters / metk
  Model Evaluation Toolkit
  ☆27Updated 6 years ago
• CSBG-LSU / BionoiNet
  Pytorch implementation of BionoiNet, which is a deep learning-based software to classify ligand-binding sites.
  ☆20Updated 4 years ago
• leojklarner / Q-SAVI
  Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions
  ☆24Updated 2 years ago