Alternatives and similar repositories for molgx-core:

Users that are interested in molgx-core are comparing it to the libraries listed below

• davkovacs / MTExplainer
  This is an updated version of the MolecularTransformer of Schwaller et. al.
  ☆13Updated 3 years ago
• hesther / templatecorr
  Hierarchical template correction for chemical reactions
  ☆14Updated 5 months ago
• aivant / ShapeLinker
  ☆22Updated 7 months ago
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆25Updated 3 months ago
• jeffrichardchemistry / molbokeh
  A new python package to visualize molecules in dots hover
  ☆12Updated 11 months ago
• rxn4chemistry / rxn-chemutils
  Chemistry-related Python utilities used in the RXN universe
  ☆24Updated 6 months ago
• cisert / bcpaff
  Exploring protein-ligand binding affinity prediction with electron density-based geometric deep learning
  ☆12Updated last year
• josejimenezluna / xaibench_tf
  Supporting models and data to doi 10.1021/acs.jcim.1c01163
  ☆15Updated 2 years ago
• dkoes / conformer_analysis
  ☆14Updated last year
• suneelbvs / DiffDock
  Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"
  ☆25Updated 2 years ago
• MolecularAI / reaction-graph-link-prediction
  ☆11Updated 3 months ago
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆23Updated 7 months ago
• iribirii / icons-for-chemists
  ☆12Updated last year
• aspuru-guzik-group / assessing_mol_prediction_confidence
  https://arxiv.org/abs/2102.11439
  ☆20Updated 3 years ago
• IBM / polymer_property_prediction
  A Python library for prediction of polymeric material properties.
  ☆15Updated 2 years ago
• LBLQMM / MACAW
  ☆14Updated 2 years ago
• hstern2 / amsr
  Another Molecular String Representation
  ☆10Updated 2 weeks ago
• iipharma / pharmamind-molminer
  PharmaMind® is an innovative drug discovery platform that integrates advanced artificial intelligence and computational simulation design…
  ☆21Updated 2 years ago
• patonlab / molcomplex
  Command line and webapp for retrosynthetic disconnections, molecular complexity and synthetic accessibility metrics
  ☆14Updated 5 months ago
• lucianlschan / Conformer-Geometry
  ☆12Updated 6 years ago
• rdkit / PREFER
  ☆28Updated last year
• rxn4chemistry / OpenNMT-py
  RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch
  ☆26Updated 11 months ago
• alexarnimueller / surf
  Simple User-Friendly Reaction Format
  ☆14Updated 2 months ago
• MolecularAI / reinvent-hitl
  Code for paper "Human-in-the-Loop Assisted de Novo Molecular Design".
  ☆22Updated last year
• lamalab-org / chemlift
  Language-interfaced fine-tuning for chemistry
  ☆32Updated last year
• czodrowskilab / 5minfame
  ☆35Updated last year
• ZimmermanGroup / ActiveTransfer
  ☆14Updated 2 years ago
• LindeSchoenmaker / SMILES-corrector
  ☆24Updated 8 months ago
• schwallergroup / saturn
  Sample-efficient Generative Molecular Design using Memory Manipulation
  ☆32Updated last month
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆30Updated 2 years ago