Alternatives and similar repositories for AlphaFlow

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

• PiotrKlukowski / ARTINA
  ☆17Updated 3 years ago
• emmaking-smith / Modular_Latent_Space
  The code corresponding to Transfer Learning for a Foundational Chemistry Model
  ☆12Updated 2 years ago
• thatchemistryguy / PyParse
  Automated analysis of LCMS data for high throughput chemistry experiments
  ☆22Updated last month
• 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
• ur-whitelab / nmrgnn
  Graph neural network for predicting NMR chemical shifts
  ☆53Updated 3 years ago
• TVect / mol_property
  Prediction of pKa from chemical structure using machine learning approaches，molecular similarity and so on
  ☆24Updated last year
• wangxr0526 / Parrot
  Implementation of reaction condition prediction with Parrot
  ☆20Updated 2 years ago
• LindeSchoenmaker / SMILES-corrector
  ☆28Updated this week
• ur-whitelab / peptide-dashboard
  Web cards/apps describing peptides
  ☆30Updated 2 years ago
• oxpig / CoPriNet
  Deep learning for compound price prediction
  ☆19Updated last year
• BobbyLangan / DeNovoDesignofBioactiveProteinSwitches
  Code used in the manuscript for De Novo Design of Bioactive Protein Switches
  ☆16Updated 6 years ago
• mahan-fcb / DSResSol
  DSResSol: A sequence-based solubility predictor created with Dilated Squeeze Excitation Residual Networks
  ☆10Updated last year
• ur-whitelab / wazy
  Bayesian Optimization with Pretrained Protein Sequence Models
  ☆56Updated last year
• 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
• rapodaca / dialect
  Documenting a subset of the SMILES language.
  ☆13Updated 3 years ago
• pnnl / darkchem
  ☆33Updated last year
• shiwentao00 / Pocket2Drug
  Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.
  ☆21Updated 3 years ago
• learningmatter-mit / peptimizer
  Peptide optimization with Machine Learning
  ☆78Updated 3 years ago
• LBLQMM / MACAW
  ☆14Updated 3 years ago
• czodrowskilab / 5minfame
  ☆38Updated 2 years 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 3 weeks ago
• capoe / libpqr
  Bias-controlled 3D generative framework for structure-based ligand design
  ☆17Updated 3 years ago
• EnzymeML / PyEnzyme
  🧬 - Data management and modeling framework based on EnzymeML.
  ☆26Updated last month
• TravisWheelerLab / drug-sniffer
  Sniffing out new drugs
  ☆23Updated 2 years ago
• open-reaction-database / ord-interface
  Search/browse interface and APIs for the Open Reaction Database
  ☆23Updated 2 weeks ago
• lukasturcani / vabene
  Make valid molecular graphs!
  ☆23Updated last year
• datamol-io / splito
  Machine Learning dataset splitting for life sciences.
  ☆36Updated last year
• ljmartin / dockviz
  docking visualization with py3dmol and streamlit
  ☆25Updated 4 years ago
• dehaenw / ECFPinvert
  Algorithmic inversion of extended connectivity fingerprints (ECFP)
  ☆24Updated last year
• rjdkmr / do_x3dna
  To analyze fluctuations in DNA or RNA structures in molecular dynamics trajectories.
  ☆27Updated 9 months ago