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Fast Updating Truncated SVD for Representation Learning with Sparse Matrices (ICLR'24)
A dependency-free cross-platform swiss army knife for PDB files.
Graphormer is a general-purpose deep learning backbone for molecular modeling.
Tutorial for the usage of the dcTMD approach and Langevin simulations employing the trypsin-benzamidine complex as example.
Analysis framework of dissipation-corrected targeted molecular dynamics (dcTMD) simulations.
Includes C++ code to run Markovian Langevin equations in units compatible with the dcTMD correction scripts available at www.moldyn.uni-freiburg.de/software/software.html. In addition, a jupyter no…
Python scripts for the application of dissipation-corrected targeted molecular dynamics analysis.
The Programming Assignment of NJU ICS course.
南京大学计算机系 课程资料 作业 代码 实验报告 NJU-CS 课程分享计划 🍚
南京大学计算机系2021秋季学期数字逻辑与计算机组成课程实验
Parameter/topology editor and molecular simulator
code to run sei and obtain sei and sequence class predictions
IncPy: An auto-memoizing Python interpreter that enables incremental recomputation
🚀 A very efficient Texas Holdem GTO solver
A denoising diffusion probabilistic model (DDPM) tailored for conditional generation of protein distograms
fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scientific community willing to develop new scoring functions and…
Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, several modifications are introduced to PUResNet program. Th…
gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.
Comma0103 / openr
Forked from openreasoner/openrOpenR: An Open Source Framework for Advanced Reasoning with Large Language Models
BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simulations.
[CVPR2025] We present StableAnimator, the first end-to-end ID-preserving video diffusion framework, which synthesizes high-quality videos without any post-processing, conditioned on a reference ima…