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adeeshkolluru

Config files for my GitHub profile.

adeeshkolluru.github.io

My personal website

adsorbdiff

[ICML'24] Adsorbate Placement via Conditional Denoising Diffusion

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

diffcsp

facebook-transcoder-demo

A small walkthrough of Facebook's TransCoder Pretrained model for Code Conversion

jmp

Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.

lie-transformer-pytorch

Implementation of Lie Transformer, Equivariant Self-Attention, in Pytorch

lieconv

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

textworld-neural-algorithmic-reasoning

torch_emt

PyTorch implementation of EMT potential

torchani

Accurate Neural Network Potential on PyTorch