Alternatives and similar repositories for Alchromy

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

• liljerri / ftir_data_analytics
  Brent's code for FTIR deconvolution
  ☆12Updated 4 years ago
• WJmodels / CMGNet
  ☆12Updated 3 years ago
• lamalab-org / structuregraph-helpers
  Helpers for working with pymatgen structure graphs.
  ☆12Updated 9 months ago
• LindeSchoenmaker / SMILES-corrector
  ☆28Updated last year
• ShuHuang / chemdatawriter
  ChemDataWriter is a transformer-based library for automatically generating research books in the chemistry area.
  ☆14Updated 2 years ago
• SqrtNegInf / SMARTS
  SMARTS: 'regular expressions' for chemical structures
  ☆21Updated 7 years ago
• aimat-lab / ChemMatData
  An overview over chemical datasets and where to find them
  ☆17Updated 2 years ago
• mjwen / rxnrep
  Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.
  ☆34Updated 3 years ago
• lamalab-org / macbench
  Probing the limitations of multimodal language models for chemistry and materials research
  ☆20Updated last month
• EPiCs-group / chemspax
  A Python tool for local chemical space exploration of any structure based on their 3D geometry
  ☆13Updated last year
• ihalage / analogmat
  Unsupervised fingerprinting of disordered solids leading to analogical materials discovery.
  ☆10Updated 2 years ago
• hjkgrp / text_mining_tools
  Tools to facilitate NLP of scientific literature
  ☆17Updated 3 years ago
• tsudalab / FL_ChemTS
  molecule design for fluorescence
  ☆12Updated 4 years ago
• coleygroup / QM-augmented_GNN
  ☆21Updated 2 years ago
• chemprop / chemprop_benchmark
  Chemprop benchmarking scripts and data for v1
  ☆28Updated last year
• neo-chem / awesome-chemical-data
  Curated list of known efforts in collecting and/or curating of chemical/materials data
  ☆22Updated 4 years ago
• snu-micc / StructLLM
  Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models
  ☆12Updated 9 months ago
• RBCanty / MIT_AMD_Platform
  Public code base for the Accelerated Molecular Discovery (AMD) platform
  ☆11Updated 2 years ago
• ImperialCollegeLondon / webBO
  ☆11Updated 2 months ago
• vogt-m / ccbmlib
  Modeling Tanimoto distributions for RDKit
  ☆18Updated 5 years ago
• openforcefield / cmiles
  Generate canonical molecule identifiers for quantum chemistry database
  ☆23Updated 4 years ago
• AstraZeneca / hsqc_structure_elucidation
  Implementation of the SGNN graph neural network for 1H and 13C NMR prediction and a tool for distinguishing different molecules based on …
  ☆15Updated 2 years ago
• wjm41 / soapgp
  Molecular Property Prediction using GP with a SOAP kernel
  ☆21Updated 5 years ago
• qcdb / qcdb
  quantum chemistry common driver and databases
  ☆16Updated 2 years ago
• aspuru-guzik-group / atlas
  A brain for self-driving laboratories
  ☆44Updated 6 months ago
• stewu5 / HighTCond_Polymer_iqspr
  R codes for generating candidates of novel polymers with high thermal conductivity using iqspr (R package)
  ☆14Updated 6 years ago
• ac-rad / digital-pipette
  ☆10Updated last year
• radi0sus / orca_uv
  Plots absorption spectra from from ORCA output files
  ☆20Updated last year
• QChASM / Aaron
  AARON (An Automated Reaction Optimizer for New catalysts) automates DFT optimizations of TS structures for asymmetric catalytic reactions…
  ☆16Updated 4 years ago
• lucianlschan / Conformer-Geometry
  ☆12Updated 7 years ago