Alternatives and similar repositories for AssemblyTron

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

• oxpig / CoPriNet
  Deep learning for compound price prediction
  ☆19Updated last year
• anirudh-nambiar / make-it-system
  Python code to control laboratory hardware and perform Bayesian reaction optimization on the MIT Make-It system for chemical synthesis
  ☆17Updated 3 years ago
• AbolhasaniLab / AlphaFlow
  AlphaFlow Reinforcement Learning
  ☆10Updated 2 years ago
• lamalab-org / secs
  SECS is a machine learning framework designed for structure elucidation from spectra such as NMR and IR.
  ☆24Updated 4 months ago
• ur-whitelab / wazy
  Bayesian Optimization with Pretrained Protein Sequence Models
  ☆56Updated last year
• thatchemistryguy / PyParse
  Automated analysis of LCMS data for high throughput chemistry experiments
  ☆23Updated last month
• cthoyt / chembl-downloader
  Write reproducible code for getting and processing ChEMBL
  ☆86Updated 4 months ago
• willfinnigan / RetroBioCat
  ☆26Updated 2 years ago
• whitead / marvis
  VMD Audio/Text control with natural language
  ☆19Updated 4 years ago
• pnnl / darkchem
  ☆33Updated last year
• daenuprobst / theia
  ☆19Updated last year
• EnzymeML / PyEnzyme
  🧬 - Data management and modeling framework based on EnzymeML.
  ☆26Updated 3 weeks ago
• protwis / protwis
  Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G pr…
  ☆44Updated 2 weeks ago
• emmaking-smith / Modular_Latent_Space
  The code corresponding to Transfer Learning for a Foundational Chemistry Model
  ☆12Updated 2 years ago
• LindeSchoenmaker / SMILES-corrector
  ☆29Updated 3 weeks ago
• ur-whitelab / peptide-dashboard
  Web cards/apps describing peptides
  ☆30Updated 2 years ago
• mahan-fcb / DSResSol
  DSResSol: A sequence-based solubility predictor created with Dilated Squeeze Excitation Residual Networks
  ☆10Updated last year
• pstansfeld / MemProtMD
  ☆47Updated last week
• tlemmin / glycosylator
  Framework for the rapid modeling glycans and glycoproteins.
  ☆31Updated 2 years ago
• brsynth / active_learning_cell_free
  Scripts to perform active learning as described in the referenced article.
  ☆13Updated 4 months ago
• garywei944 / FMol
  A simplified drug discovery pipeline -- generating SMILE molecular with AlphaSMILES, predicting protein structure with AlphaFold, and che…
  ☆17Updated 4 years ago
• matteoferla / molecular_rectifier
  Given an RDKit molecule that does not sanitise, correct it until it does
  ☆43Updated last year
• czodrowskilab / 5minfame
  ☆38Updated 2 years ago
• khoivan88 / pka_lookup
  Python script to lookup pKa values
  ☆26Updated 4 months ago
• VlachosGroup / AIMSim
  A Python toolbox to work with molecular similarity
  ☆44Updated 4 months ago
• TVect / mol_property
  Prediction of pKa from chemical structure using machine learning approaches，molecular similarity and so on
  ☆24Updated last year
• szymonzaczek / MDMS
  MDMS: Molecular Dynamics Made Simple; Python program facilitating performing Molecular Dynamics simulations of proteins
  ☆26Updated 6 years ago
• PDBeurope / ccdutils
  A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…
  ☆74Updated 3 months ago
• k-yenko / rowan-mcp
  MCP for Rowan https://rowansci.com/
  ☆19Updated 2 months ago
• ur-whitelab / nmrgnn
  Graph neural network for predicting NMR chemical shifts
  ☆54Updated 3 years ago