Alternatives and similar repositories for XpertAI:

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

• jeffrichardchemistry / molbokeh
  A new python package to visualize molecules in dots hover
  ☆12Updated last year
• lamalab-org / matextract-book
  ☆38Updated last week
• mlederbauer / awesome-learning-digital-chemistry
  a curated list of resources for everyone interested in learning about digital chemistry
  ☆22Updated last month
• mlederbauer / glossagen
  create a glossary out of your manuscript in materials and chemistry – instantly
  ☆11Updated 8 months ago
• rxn4chemistry / rxn-chemutils
  Chemistry-related Python utilities used in the RXN universe
  ☆24Updated 8 months ago
• ShuHuang / chemdatawriter
  ChemDataWriter is a transformer-based library for automatically generating research books in the chemistry area.
  ☆15Updated last year
• IBM / polymer_property_prediction
  A Python library for prediction of polymeric material properties.
  ☆16Updated 2 years ago
• hkqiu / Unified_ML4Polymers
  Unified machine learning model for predicting polymer properties through human language instructions
  ☆14Updated last year
• lamalab-org / chembench-paper
  ☆21Updated 2 months ago
• GT4SD / molgx-core
  IBM Molecule Generation Experience (MolGX) is a tool to accelerate an AI-driven design of new materials.
  ☆15Updated 2 years ago
• aspuru-guzik-group / assessing_mol_prediction_confidence
  https://arxiv.org/abs/2102.11439
  ☆20Updated 3 years ago
• JacksonBurns / fastprop
  Fast Molecular Property Prediction with mordredcommunity
  ☆20Updated last week
• rxn4chemistry / OpenNMT-py
  RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch
  ☆26Updated last year
• MolecularAI / reaction-graph-link-prediction
  ☆12Updated 5 months ago
• iribirii / icons-for-chemists
  ☆13Updated last year
• alejandrosantanabonilla / pysoftk
  Python program for modelling and simulating polymers.
  ☆33Updated 2 weeks ago
• mjwen / rxnrep
  Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.
  ☆33Updated 2 years ago
• jensengroup / protonator
  Quick and dirty protonation
  ☆16Updated 2 years ago
• PEJpOhno / SMiPoly
  rule-based virtual polymer library generator
  ☆32Updated 2 months ago
• lamalab-org / llm-tutorial
  Tutorial on LLMs and agents
  ☆15Updated 8 months ago
• jensengroup / mbh_catalyst_ga
  Catalyst design for the Morita−Baylis−Hillman Reaction using a graph-based genetic algorithm
  ☆10Updated 8 months ago
• lamalab-org / chemlift
  Language-interfaced fine-tuning for chemistry
  ☆38Updated last year
• batistagroup / ChemSpaceAL
  ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein- Specific Molecular Generation
  ☆20Updated 8 months ago
• czodrowskilab / 5minfame
  ☆36Updated last year
• olsenlabmit / BigSMILES
  An open-source effort towards accessible polymer data
  ☆32Updated 4 years ago
• alexarnimueller / surf
  Simple User-Friendly Reaction Format
  ☆17Updated 5 months ago
• rxn4chemistry / nmr-to-structure
  Prediction molecular structure from NMR spectra
  ☆30Updated last year
• m-gallegos / SchNet4AIM
  This repository gathers the SchNet4AIM code along with some instructions and readme files.
  ☆13Updated last year
• wjm41 / soapgp
  Molecular Property Prediction using GP with a SOAP kernel
  ☆21Updated 4 years ago
• JacksonBurns / fastsolv
  fastsolv python package, website, and paper code
  ☆15Updated this week