Adeesh Kolluru's repositories
AdsorbDiff
[ICML'24] Adsorbate Placement via Conditional Denoising Diffusion
AdeeshKolluru
Config files for my GitHub profile.
AdeeshKolluru.github.io
My personal website
cdvae
An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
crystal-llm
Large language models to generate stable crystals.
CrystaLLM
A Large Language Model of the CIF format for Crystal Structure Generation
deepmind-research
This repository contains implementations and illustrative code to accompany DeepMind publications
JMP
Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.
dxtb
Efficient And Fully Differentiable Extended Tight-Binding
facebook-transcoder-demo
A small walkthrough of Facebook's TransCoder Pretrained model for Code Conversion
lie-transformer-pytorch
Implementation of Lie Transformer, Equivariant Self-Attention, in Pytorch
llama
Inference code for LLaMA models
llama-recipes
The llama-recipes repository is a companion to the Llama 2 model. The repository includes scripts for fine-tuning Llama 2 on text summarisation and question answering, running inference with a fine-tuned Llama 2 model and demo apps to showcase Llama 2 usage with local, cloud, or on-prem deployment.
matbench
Matbench: Benchmarks for materials science property prediction
ocp
https://opencatalystproject.org/
Open-Catalyst-Dataset
Workflow for creating and analyzing the Open Catalyst Dataset
pytorch_scatter
PyTorch Extension Library of Optimized Scatter Operations
schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
torchani
Accurate Neural Network Potential on PyTorch