Alternatives and similar repositories for AI4Chem

Users that are interested in AI4Chem are comparing it to the libraries listed below

• rxn4chemistry / OpenNMT-py
  RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch
  ☆26Updated last year
• qai222 / LLM_organic_synthesis
  ☆25Updated last year
• iipharma / pharmamind-molminer
  PharmaMind® is an innovative drug discovery platform that integrates advanced artificial intelligence and computational simulation design…
  ☆25Updated 2 years ago
• dahuilangda / BioChemInsight
  ☆14Updated last week
• reymond-group / CASP-and-dataset-performance
  Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.
  ☆47Updated 4 years ago
• rxn4chemistry / rxn-reaction-preprocessing
  Preprocessing of datasets of chemical reactions: standardization, filtering, augmentation, tokenization, etc.
  ☆12Updated last year
• rxn4chemistry / rxn-chemutils
  Chemistry-related Python utilities used in the RXN universe
  ☆25Updated 10 months ago
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆30Updated 2 years ago
• Lleyton-Ariton / molecule-generation
  Molecular SMILE generation with recurrent neural networks
  ☆19Updated 10 months ago
• m-mokaya / RIOP
  ☆17Updated 2 years ago
• croningp / JTNN-VAE
  Junction-tree variational auto-encoder for Python 3 (https://arxiv.org/abs/1802.04364)
  ☆9Updated 4 years ago
• grisoniFr / de_novo_design_RNN
  Code for "De novo molecular design with chemical language models"
  ☆13Updated 3 years ago
• SeonghwanSeo / BBAR
  Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)
  ☆33Updated 2 months ago
• cadd-synthetic / GASA
  Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism
  ☆21Updated last year
• vfscalfani / CSN_tutorial
  Jupyter Notebook Tutorials for Creating Chemical Space Networks
  ☆35Updated last year
• GT4SD / molgx-core
  IBM Molecule Generation Experience (MolGX) is a tool to accelerate an AI-driven design of new materials.
  ☆15Updated 2 years ago
• dkoes / conformer_analysis
  ☆15Updated last year
• learningmatter-mit / PatentChem
  Downloads USPTO patents and finds molecules related to keyword queries
  ☆61Updated last year
• alexarnimueller / surf
  Simple User-Friendly Reaction Format
  ☆17Updated 7 months ago
• BLarzalere / AI-De-Novo-Molecule-Design
  Deep learning AI for generating new molecules that bond to the COVID-19.
  ☆12Updated 4 years ago
• cisert / bcpaff
  Exploring protein-ligand binding affinity prediction with electron density-based geometric deep learning
  ☆12Updated last year
• Ozymandias314 / MolDetect
  A Sequence Generation Model for Reaction Diagram Parsing
  ☆23Updated last year
• smu-tao-group / LAST
  LAST: Latent Space Assisted Adaptive Sampling for Protein Trajectories
  ☆12Updated 2 years ago
• davkovacs / MTExplainer
  This is an updated version of the MolecularTransformer of Schwaller et. al.
  ☆13Updated 3 years ago
• batistagroup / ChemSpaceAL
  ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein- Specific Molecular Generation
  ☆21Updated 10 months ago
• hogru / MolReactGen
  Auto-regressive causal language model for molecule (SMILES) and reaction template (SMARTS) generation based on the Hugging Face implement…
  ☆17Updated last year
• ZimmermanGroup / ActiveTransfer
  ☆14Updated 2 years ago
• patonlab / molcomplex
  Command line and webapp for retrosynthetic disconnections, molecular complexity and synthetic accessibility metrics
  ☆14Updated 9 months ago
• Laboratoire-de-Chemoinformatique / Reaction_Data_Cleaning
  Chemical reaction data cleaning
  ☆30Updated 3 years ago
• olsenlabmit / Polymer-Graph-Similarity
  Quantifying Pairwise Chemical Similarity for Polymers
  ☆13Updated last year