acharkq

typst

A new markup-based typesetting system that is powerful and easy to learn.

chatgpt_system_prompt

A collection of GPT system prompts and various prompt injection/leaking knowledge.

01

The open-source language model computer

Kolors

Kolors Team

e3nn

A modular framework for neural networks with Euclidean symmetry

materials_discovery

moses

Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

e3_diffusion_for_molecules

Awesome-Scientific-Language-Models

A Comprehensive Survey of Scientific Large Language Models and Their Applications in Scientific Discovery

resp

Fetch Academic Research Papers from different sources

aifs

Local semantic search. Stupidly simple.

pygmtools

A Python Graph Matching Toolkit.

torsional-diffusion

Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)

equiformer-pytorch

Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein folding

MolTC

geom

GEOM: Energy-annotated molecular conformations

equiformer

[ICLR'23 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs

equiformer_v2

[ICLR'24] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations

flash-attention

Fast and memory-efficient exact attention

equifold

Official code repository for EquiFold: Protein Structure Prediction with a Novel Coarse-Grained Structure Representation

MolCA

Code for EMNLP2023 paper "MolCA: Molecular Graph-Language Modeling with Cross-Modal Projector and Uni-Modal Adapter".

autofd

Automatic Functional Differentiation in JAX

group-selfies

ProtT3

Source code for ACL 2024 paper: "ProtT3: Protein-to-Text Generation for Text-based Protein Understanding"

d4ft

A JAX library for Density Functional Theory.

suppdata

Grabbing SUPPlementary DATA in R

3D-MoLM

smiles2actions

Action sequence prediction for arbitrary chemical equations

pyg-rocm-build

ReactXT

[ACL 2024] ReactXT: Understanding Molecular “Reaction-ship” via Reaction-Contextualized Molecule-Text Pretraining. by Zhiyuan Liu*, Yaorui Shi*, An Zhang, Sihang Li, Enzhi Zhang, Xiang Wang, Kenji Kawaguchi, Tat-Seng Chua