apudi's Stars
eutactic/rxnlvl
A simple python package for drawing attractive chemical reaction energy level diagrams
giacomomarchioro/PyEnergyDiagrams
This is a simple script to plot energy profile diagrams using Python and matplotlib.
zavalab/ML
cog-imperial/OMLT
Represent trained machine learning models as Pyomo optimization formulations
lvpp/sigma
LVPP sigma-profile database + COSMO-SAC parametrizations
CalebBell/thermo
Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
gustavochm/sgtpy
gustavochm/phasepy
boschresearch/torchphysics
skinnider/NPS-generation
lmmentel/awesome-python-chemistry
A curated list of Python packages related to chemistry
aoiang/few-shot-NAS
facebookresearch/LaMCTS
The release codes of LA-MCTS with its application to Neural Architecture Search.
dmlc/dgl
Python package built to ease deep learning on graph, on top of existing DL frameworks.
awslabs/dgl-lifesci
Python package for graph neural networks in chemistry and biology
RosettaCommons/RoseTTAFold
This package contains deep learning models and related scripts for RoseTTAFold
google-deepmind/alphafold
Open source code for AlphaFold 2.
IDSIA/recurrent-fwp
Official repository for the paper "Going Beyond Linear Transformers with Recurrent Fast Weight Programmers" (NeurIPS 2021)
MilesCranmer/symbolic_deep_learning
Code for "Discovering Symbolic Models from Deep Learning with Inductive Biases"
graph4ai/graph4nlp
Graph4nlp is the library for the easy use of Graph Neural Networks for NLP. Welcome to visit our DLG4NLP website (https://dlg4nlp.github.io/index.html) for various learning resources!
mchong6/GANsNRoses
Official PyTorch repo for GAN's N' Roses. Diverse im2im and vid2vid selfie to anime translation.
gbouritsas/GSN
Official repository for the paper "Improving Graph Neural Network Expressivity via Subgraph Isomorphism Counting" (TPAMI'22) https://arxiv.org/abs/2006.09252
OpenDrugAI/AttentiveFP
BerenMillidge/PredictiveCodingBackprop
Code for the paper "Predictive Coding Approximates Backprop along Arbitrary Computation Graphs"
mit-han-lab/anycost-gan
[CVPR 2021] Anycost GANs for Interactive Image Synthesis and Editing
google-research/electra
ELECTRA: Pre-training Text Encoders as Discriminators Rather Than Generators
dvlab-research/AttenNorm
Attentive Normalization for Conditional Image Generation
iVMCL/AttentiveNorm_Detection
AttentiveNorm_Detection(built on Open MMLab Detection Toolbox and Benchmark)
Stream-AD/ExGAN
Adversarial Generation of Extreme Samples
intel/neural-compressor
SOTA low-bit LLM quantization (INT8/FP8/INT4/FP4/NF4) & sparsity; leading model compression techniques on TensorFlow, PyTorch, and ONNX Runtime