Alternatives and similar repositories for ARTINA

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

• pluskal-lab / MassSpecGym
  MassSpecGym: A benchmark for the discovery and identification of molecules (NeurIPS 2024 Spotlight)
  ☆90Updated 3 weeks ago
• thatchemistryguy / PyParse
  Automated analysis of LCMS data for high throughput chemistry experiments
  ☆22Updated last month
• datamol-io / splito
  Machine Learning dataset splitting for life sciences.
  ☆32Updated last year
• coleygroup / DiffMS
  ☆84Updated 2 months ago
• murphy17 / graff-ms
  Efficiently predicting high resolution mass spectra with graph neural networks
  ☆29Updated 2 years ago
• log-md / logmd
  ☆63Updated 5 months ago
• coleygroup / ms-pred
  Predicting tandem mass spectra from molecules
  ☆110Updated 2 weeks ago
• LindeSchoenmaker / SMILES-corrector
  ☆28Updated last year
• swansonk14 / chemfunc
  Useful functions for working with small molecules
  ☆54Updated 2 weeks ago
• jssweller / DrugHIVE
  DrugHIVE: Structure-based drug design with a deep hierarchical generative model
  ☆104Updated 10 months ago
• Steinbeck-Lab / coconut
  COCONUT (COlleCtion of Open Natural prodUcTs): A comprehensive platform facilitating natural product research by providing data, tools, a…
  ☆36Updated this week
• AbolhasaniLab / AlphaFlow
  AlphaFlow Reinforcement Learning
  ☆10Updated 2 years ago
• kalininalab / DataSAIL
  DataSAIL is a tool to split datasets while reducing information leakage.
  ☆38Updated last week
• samgoldman97 / mist
  Encoding MS/MS spectra using formula transformers for inferring molecular properties
  ☆67Updated last year
• patrickbryant1 / Cfold
  Structure prediction of alternative protein conformations
  ☆78Updated 7 months ago
• matchms / ms2deepscore
  Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity
  ☆71Updated last month
• Boehringer-Ingelheim / pyPept
  pyPept: a python library to generate atomistic 2D and 3D representations of peptides
  ☆77Updated last year
• samuelmurail / gromacs_py
  Gromacs_py is a python library allowing a simplified use of the gromacs MD simulation software. Gromacs_py can build topologie based on a…
  ☆49Updated 3 years ago
• iambic-therapeutics / np-bench
  A benchmark for 3D biomolecular structure prediction models
  ☆66Updated 4 months ago
• ratthachat / awesome-biochem-ai
  Curated list on Deep Transformers Applications on Biology and Chemistry
  ☆18Updated 2 years ago
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆70Updated 6 months ago
• kolibril13 / ipyMolecularNodes
  molecular plots in Jupyter, powererd by Blender Geometry Nodes
  ☆55Updated last year
• pnnl / darkchem
  ☆32Updated 9 months ago
• Ananikov-Lab / medusa
  The code for the article "Fully Automated Unconstrained Analysis of High-Resolution Mass Spectrometry Data with Machine Learning"
  ☆28Updated 8 months 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…
  ☆68Updated 3 weeks ago
• Graylab / DFMDock
  DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.
  ☆47Updated 2 months ago
• CDDLeiden / PCMol
  Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.
  ☆66Updated 6 months ago
• dehaenw / ECFPinvert
  Algorithmic inversion of extended connectivity fingerprints (ECFP)
  ☆21Updated last year
• emmaking-smith / Modular_Latent_Space
  The code corresponding to Transfer Learning for a Foundational Chemistry Model
  ☆12Updated last year
• JosieHong / awesome-smallmol-massspec-ml
  Awesome papers and codes list of small molecule mass spectrometry-related machine learning methods
  ☆33Updated this week