Alternatives and similar repositories for MIT_AMD_Platform

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

• EPiCs-group / chemspax
  A Python tool for local chemical space exploration of any structure based on their 3D geometry
  ☆13Updated 8 months ago
• espottesmith / MPcat
  An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…
  ☆13Updated last year
• materials-data-facility / llm-hackathon
  ☆9Updated last year
• aimat-lab / ChemMatData
  An overview over chemical datasets and where to find them
  ☆17Updated last year
• tcnicholas / chic
  Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…
  ☆13Updated 7 months ago
• neo-chem / awesome-chemical-data
  Curated list of known efforts in collecting and/or curating of chemical/materials data
  ☆21Updated 4 years ago
• qcscine / puffin
  ☆12Updated 10 months ago
• uiocompcat / HyDGL
  Python parser for generating descriptive graphs from Natural Bond Orbital data ready for use in Graph Neural Networks.
  ☆12Updated last month
• aspuru-guzik-group / MERMaid
  Multimodal aid for mining of chemical reactions from PDFs
  ☆23Updated 2 weeks ago
• duartegroup / metallicious
  ☆17Updated 8 months ago
• spgarcica / rNets
  rNets: A standalone package to visualize reaction networks
  ☆16Updated 8 months ago
• lamalab-org / macbench
  Probing the limitations of multimodal language models for chemistry and materials research
  ☆17Updated last month
• cernaklab / jchemed-chemoinformatics
  ☆11Updated last year
• dsvatunek / autoDIAS
  autoDIAS: a python tool for an automated Distortion/Interaction Activation Strain Analysis
  ☆17Updated 3 years ago
• lcmd-epfl / cell2mol
  ☆26Updated 3 weeks ago
• jeffrichardchemistry / molbokeh
  A new python package to visualize molecules in dots hover
  ☆13Updated last year
• RokasEl / simgen
  Zero Shot Molecular Generation via Similarity Kernels
  ☆20Updated 3 weeks ago
• raghurama123 / qm9pack
  A Python package for data-mining the QM9 dataset
  ☆17Updated 3 months ago
• zincware / rdkit2ase
  Create atomistic structures with ASE, rdkit and packmol
  ☆12Updated this week
• BlauGroup / mrnet
  Mr. Network is a python reaction-network for molecular systems
  ☆11Updated 3 years ago
• BlauGroup / HiPRGen
  ☆25Updated 7 months ago
• TRI-AMDD / piro
  Software for evaluating pareto-optimal synthesis pathways
  ☆25Updated last year
• vikram-sundar / ML4MolEng_Spring2022
  Materials for the course Machine Learning for Molecular Engineering (MIT Spring 2022).
  ☆10Updated 3 years ago
• RodrigoAVargasHdz / huxel_molecule_desing
  Hückel model + JAX
  ☆12Updated 2 years ago
• hjkgrp / text_mining_tools
  Tools to facilitate NLP of scientific literature
  ☆16Updated 3 years ago
• JelfsMaterialsGroup / stko
  A collection of molecular optimisers and property calculators for use with stk.
  ☆24Updated last month
• zadorlab / PESViewer
  Depiction of Potential Energy Surfaces
  ☆14Updated 8 months ago
• bafgreat / mofstructure
  A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…
  ☆19Updated 2 months ago
• rperezsoto / pykinetic
  Pykinetic is a project that aims to facilitate the automation and generation of kinetic and microkinetic models. Pykinetic acts as an int…
  ☆11Updated 3 weeks ago
• jschrier / SynthGPT
  Code and Data for "Large Language Models for Inorganic Synthesis Prediction"
  ☆29Updated 9 months ago