RBCanty / MIT_AMD_Platform
Public code base for the Accelerated Molecular Discovery (AMD) platform
☆10Updated last year
Alternatives and similar repositories for MIT_AMD_Platform:
Users that are interested in MIT_AMD_Platform are comparing it to the libraries listed below
- ☆9Updated 9 months ago
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆12Updated 2 months ago
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Updated 9 months ago
- A Python tool for local chemical space exploration of any structure based on their 3D geometry☆13Updated 3 months ago
- An overview over chemical datasets and where to find them☆17Updated last year
- ☆26Updated 3 weeks ago
- Materials for the course Machine Learning for Molecular Engineering (MIT Spring 2022).☆10Updated 2 years ago
- ☆21Updated 2 months ago
- ☆20Updated last year
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆18Updated 2 months ago
- A new python package to visualize molecules in dots hover☆12Updated 11 months ago
- CoRE-MOF as a Python package☆14Updated 2 months ago
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆25Updated 4 months ago
- Adds Orb Model functionality to LAMMPS via Python wrapping☆13Updated 3 months ago
- autoDIAS: a python tool for an automated Distortion/Interaction Activation Strain Analysis☆16Updated 3 years ago
- A fully featured ASE calculator for xTB☆16Updated 3 months ago
- Tools to facilitate NLP of scientific literature☆16Updated 3 years ago
- rNets: A standalone package to visualize reaction networks☆14Updated 3 months ago
- ChemDataWriter is a transformer-based library for automatically generating research books in the chemistry area.☆14Updated last year
- rule-based virtual polymer library generator☆27Updated last week
- Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.☆32Updated 2 years ago
- A template for Python packages. Developed by the @quantum-accelerators☆13Updated last week
- ☆16Updated 3 months ago
- ☆11Updated last year
- Split a MOF into its building blocks.☆21Updated 2 years ago
- PyTorch Autodiff DFT-D4 Implementation.☆17Updated this week
- Python code for Hückel and Pariser-Parr-Pople molecular orbital theory☆14Updated last year
- A Python package for data-mining the QM9 dataset☆14Updated 2 months ago
- An ecosystem for digital reticular chemistry☆44Updated 4 months ago
- ☆10Updated 2 weeks ago