pluskal-lab / DreaMS

Related projects ⓘ

Alternatives and complementary repositories for DreaMS

• BAMeScience / fiora
  Fiora is an in silico fragmentation algorithm for small compounds that produces simulated tandem mass spectra (MS/MS). The framework empl…
  ☆24Updated 2 weeks ago
• samgoldman97 / mist
  Encoding MS/MS spectra using formula transformers for inferring molecular properties
  ☆48Updated 5 months ago
• samgoldman97 / ms-pred
  Predicting tandem mass spectra from molecules
  ☆71Updated 10 months ago
• merlin-ms / awesome-mass-spectral-libraries
  ☆14Updated 6 months ago
• Jnelen / DiffDockHPC
  DiffDock implementation that adds support for HPC execution using Slurm and Singularity
  ☆24Updated last month
• molecularmodelinglab / plantain
  Fast and accurate molecular docking with an AI pose scoring function
  ☆37Updated 9 months ago
• pluskal-lab / MassSpecGym
  MassSpecGym: A benchmark for the discovery and identification of molecules (NeurIPS 2024 Spotlight)
  ☆26Updated last week
• PeptoneLtd / proteinmpnn_ddg
  Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.
  ☆32Updated 2 months ago
• pnnl / darkchem
  ☆31Updated last year
• matchms / ms2deepscore
  Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity
  ☆56Updated this week
• PickyBinders / PickyBinder
  Docking Tool Benchmarking Workflow
  ☆20Updated 3 months ago
• moltools / CineMol
  Direct-to-SVG small molecule drawer.
  ☆23Updated 2 months ago
• NasimAbdollahi / NodeCoder
  NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.
  ☆30Updated 6 months ago
• murphy17 / graff-ms
  Efficiently predicting high resolution mass spectra with graph neural networks
  ☆24Updated last year
• samgoldman97 / mist-cf
  Predicting MS1 precursor chemical formula from MS/MS data
  ☆17Updated last year
• hesther / enzymemap
  Python package to atom map, correct and suggest enzymatic reactions
  ☆35Updated 6 months ago
• thejonaslab / rassp-public
  Publicly-accessible repo for ACS paper "Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization−Mass Spectrometry" (RAS…
  ☆16Updated last year
• ratthachat / awesome-biochem-ai
  Curated list on Deep Transformers Applications on Biology and Chemistry
  ☆17Updated last year
• rxn4chemistry / rxnaamapper
  Reaction SMILES-AA mapping via language modelling
  ☆29Updated last month
• feiglab / idpgan
  ☆42Updated 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…
  ☆37Updated last week
• rochoa85 / PepFun
  Bioinformatics and Cheminformatics protocols for peptide analysis
  ☆35Updated last year
• samgoldman97 / enz-pred
  ☆16Updated 2 years ago
• 3BioCompBio / pyScoMotif
  Python tool for the discovery of similar 3D structural motifs across protein structures.
  ☆23Updated 11 months ago
• Elizachem / SMRT_transfer
  ☆10Updated 2 years ago
• ghiander / novana
  Novana is a cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.
  ☆35Updated 8 months ago
• Boehringer-Ingelheim / pyPept
  pyPept: a python library to generate atomistic 2D and 3D representations of peptides
  ☆60Updated 2 months ago
• liuyf020419 / SCUBA-D
  ☆36Updated 7 months ago
• rdk / p2rank-datasets
  Datasets for P2Rank project. https://github.com/rdk/p2rank
  ☆16Updated last year
• GIST-CSBL / HoTS
  HoTS: Sequence-based prediction of binding regions and drug-target interactions.
  ☆25Updated 2 years ago